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CAS 154598-52-4 Efavirenz molecular structure lightbox
CAS RN: 154598-52-4

Efavirenz

Product Availability

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10 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250913 10g In stock Shanghai Inquiry
Batchno.20250519 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250621 25g In stock Shanghai Inquiry
Batchno.20250522 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250602 10mg In stock Inquiry
Batchno.20250318 1g In stock Inquiry
Batchno.20250831 250mg In stock Inquiry
Batchno.20251003 50mg In stock Inquiry
Batchno.20250706 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 1ml In stock Inquiry
  • Product code: SSC-063924
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 154598-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

154598-52-4 / (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Standard CAS: 154598-52-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
154598-52-4
Multi CAS
No
Molecular Formula
C14H9ClF3NO2
Molecular Weight
315.670000
Exact Mass
315.027391
SMILES
C1CC1C#C[C@]2(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
InChIKey
XPOQHMRABVBWPR-ZDUSSCGKSA-N

Physical Properties

Melting Point
139-141 °C 139 - 141 °C
Physical Description
Solid
Appearance
Crystals from toluene:heptane White to slightly pink crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
69.79
TPSA
38.33

LogP / Solubility

WLOGP
4.07
MLOGP
3.6
XLogP3
4
Consensus LogP
3.89
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (52.3%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (47.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H360 (48.9%): May damage fertility or the unborn child [Danger Reproductive toxicity] H372 (43.2%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H400 (92%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P318, P319, P330, P337+P317, P391, P405, and P501

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