CAS 205754-32-1

(4S)-6-chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one

Description:

The chemical substance known as (4S)-6-chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one, with the CAS number 205754-32-1, is a synthetic organic compound characterized by its complex structure, which includes a benzoxazine core. This compound features a chloro group and a trifluoromethyl group, which contribute to its unique chemical reactivity and potential biological activity. The presence of the cyclopropylethynyl moiety suggests that it may exhibit interesting properties related to its steric and electronic characteristics. The hydroxyl group indicates potential for hydrogen bonding, which can influence solubility and interaction with biological targets. As a dihydro compound, it may exist in equilibrium with its oxidized form, affecting its stability and reactivity. Overall, this compound's specific functional groups and stereochemistry may render it of interest in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. Further studies would be necessary to elucidate its precise biological activity and potential applications.

Formula: C₁₄H₉ClF₃NO₃

InChI: InChI=1/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)/t13-/m0/s1

SMILES: C1CC1C#C[C@]1(c2cc(cc(c2N=C(O)O1)O)Cl)C(F)(F)F

Synonyms:

• 2H-3,1-benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-, (4S)-

rac 8-Hydroxy Efavirenz

CAS: 205754-32-1

Formula: C₁₄H₉ClF₃NO₃

Color and Shape: Solid

Molecular weight: 331.6744

Ref: IN-DA002ABW

rac-8-Hydroxy Efavirenz

CAS: 205754-32-1

Formula: C₁₄H₉ClF₃NO₃

Color and Shape: Pale Yellow Solid

Molecular weight: 331.68

Ref: 4Z-E-079

rac 8-Hydroxy Efavirenz

Controlled Product

CAS: 205754-32-1

Formula: C₁₄H₉ClF₃NO₃

Color and Shape: Neat

Molecular weight: 331.67

Ref: TR-H941825

rac 8-Hydroxy efavirenz

CAS: 205754-32-1

Efavirenz is a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in the treatment of HIV. It has been shown to be reactive with sodium carbonate, forming a stable complex that can be measured by LC-MS/MS. The formation rate of this complex may be influenced by the presence of other drugs, such as rifampin, which inhibits cytochrome P450 activity and reduces efavirenz metabolism. This drug has been shown to inhibit human Cytochrome P450 3A4 (CYP3A4) and may have increased plasma concentrations when administered with CYP3A4 inhibitors such as ketoconazole or erythromycin. Efavirenz is also metabolized in the liver by cytochrome P450 enzymes, mainly CYP3A4. Pharmacokinetic modeling has been used to study the drug's effects on hepatic clearance and plasma concentrations in humans.

Formula: C₁₄H₉ClF₃NO₃

Purity: Min. 95%

Color and Shape: White Powder

Molecular weight: 331.67 g/mol

Ref: 3D-FH27480

(Rac)-8-Hydroxy-efavirenz

CAS: 205754-32-1

(Rac)-8-Hydroxy-efavirenz is a metabolite of Efavirenz, a non-nucleoside reverse transcriptase inhibitor (NNRTI) used in the treatment of HIV-1.

Formula: C₁₄H₉ClF₃NO₃

Color and Shape: Solid

Molecular weight: 331.674

Ref: TM-TYD-02043