CAS RN: 391860-73-4
Efavirenz Related Compound C (20 mg) (6-chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline)
- Product code: SSC-146824
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: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
391860-73-4 / 6-chloro-2-cyclopropyl-4-(trifluoromethyl)quinoline
Basic Information
CAS
391860-73-4
Multi CAS
No
Molecular Formula
C13H9CLF3N
Molecular Weight
271.660000
Exact Mass
271.037562
InChI
InChI=1S/C13H9ClF3N/c14-8-3-4-11-9(5-8)10(13(15,16)17)6-12(18-11)7-1-2-7/h3-7H,1-2H2
InChIKey
CXGFIHCGWHSIQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
63.73
TPSA
12.89
LogP / Solubility
WLOGP
4.78
MLOGP
4.22
XLogP3
4.3
Consensus LogP
4.43
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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