CAS RN: 323176-64-3
3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250916 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS323176-64-3
- Purity/Analytical Methods: >99.0%
323176-64-3 / 3-chloro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide
Basic Information
CAS
323176-64-3
Multi CAS
No
Molecular Formula
C15H11CLN2OS
Molecular Weight
302.800000
Exact Mass
302.028062
InChI
InChI=1S/C15H11ClN2OS/c16-13-11-5-1-2-6-12(11)20-14(13)15(19)18-9-10-4-3-7-17-8-10/h1-8H,9H2,(H,18,19)
InChIKey
FLKPRONUHHJNKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
82.24
TPSA
41.99
LogP / Solubility
WLOGP
3.88
MLOGP
3.43
XLogP3
3.6
Consensus LogP
3.64
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
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)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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