N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide
TL;DR: N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide (CAS 313662-28-1) is a chemical compound with molecular formula C15H8ClN3OS and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide
Also Known As: N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide, N-(6-chlorobenzo[d]thiazol-2-yl)-4-cyanobenzamide, F0016-0452, N-(6-chloro-1,3-benzothiazol-2-yl)p-cyanobenzamide
| Molecular Formula | C15H8ClN3OS |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 4.07368 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.00766 |
| Heavy Atoms | 21 |
| Complexity | 864.7513 |
Chemical Identifiers
| CAS Number | 313662-28-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl |
Product Overview
N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide (CAS 313662-28-1), with molecular formula C15H8ClN3OS and molecular weight 313.01 g/mol. IUPAC: N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide.
Chemical Property Profile of N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide
Property Insights of N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide
The XLogP value of 4.07368 indicates that N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide. Following Lipinski's Rule of Five, N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide?
The CAS number of N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide is 313662-28-1.
What is the molecular formula of N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide?
The molecular formula of N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide is C15H8ClN3OS.
What is the molecular weight of N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide?
The molecular weight of N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide is 313.01 g/mol.
Where can I buy N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide?
You can request a quote for N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyanobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.