CAS RN: 305350-87-2
SL 327
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 100mg | Out of stock | Inquiry | |
| Batchno.20251227 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260418 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251126 | 250mg | Out of stock | Inquiry | |
| Batchno.20250701 | 50mg | Out of stock | Inquiry | |
| Batchno.20250608 | 5mg | In stock | Shanghai | Inquiry |
- Product code: ICTL0331
- Purity/Analytical Methods: >97.0%(HPLC)
305350-87-2 / (Z)-3-amino-3-(4-aminophenyl)sulfanyl-2-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
Basic Information
CAS
305350-87-2
Multi CAS
Yes
Molecular Formula
C16F3H12N3S
Molecular Weight
335.300000
Exact Mass
335.070403
InChI
InChI=1S/C16H12F3N3S/c17-16(18,19)14-4-2-1-3-12(14)13(9-20)15(22)23-11-7-5-10(21)6-8-11/h1-8H,21-22H2/b15-13+
InChIKey
JLOXTZFYJNCPIS-FYWRMAATSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
84.88
TPSA
75.83
LogP / Solubility
WLOGP
4.23
MLOGP
3.74
XLogP3
3.7
Consensus LogP
3.89
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
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
2.5
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