CAS RN: 851206-31-0
WAY-640810
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260421 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS851206-31-0
- Purity/Analytical Methods: >99.0%
851206-31-0 / 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
Basic Information
CAS
851206-31-0
Multi CAS
No
Molecular Formula
C22H18N4OS
Molecular Weight
386.500000
Exact Mass
386.120132
InChI
InChI=1S/C22H18N4OS/c27-21(26-22-25-18-7-3-4-8-20(18)28-22)16-13-19(14-9-11-23-12-10-14)24-17-6-2-1-5-15(16)17/h1-2,5-6,9-13H,3-4,7-8H2,(H,25,26,27)
InChIKey
FAJJOOSPYDZYFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
21
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
111.68
TPSA
67.77
LogP / Solubility
WLOGP
4.88
MLOGP
4.32
XLogP3
4.1
Consensus LogP
4.43
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.59
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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