(S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one - CAS 154598-52-4

Catalog: BB011034
Product Name: (S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
CAS: 154598-52-4
Synonyms: (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
(S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
IUPAC Name:(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Description:Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are highly specific and potent allosteric inhibitors of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase. Efavirenz is an NNRTI that prevents RNA plus-strand initiation with an IC50 value of 17 nM. Efavirenz also inhibits the late stages of HIV-1 replication by interfering with HIV-1 Gag-Pol polyprotein processing. It has been used in combination therapy with drugs directed at the treatment of opportunistic infections such as HIV and cancer.
Molecular Weight:315.67
Molecular Formula:C14H9ClF3NO2
Canonical SMILES:C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
InChI:InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
InChI Key:XPOQHMRABVBWPR-ZDUSSCGKSA-N
Boiling Point:340.6 °C at 760 mmHg
Melting Point:139-141°C
Flash Point:209.4±31.5 °C
Purity:> 98 %
Density:1.53 g/cm3
Solubility:In Vitro:
DMSO: ≥ 38 mg/mL (120.38 mM)
Appearance:White to off-white (Solid)
Storage:Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
LogP:4.21110
Vapor Pressure:0.0±1.1 mmHg at 25°C

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Related Functional Groups

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