3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide
TL;DR: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide (CAS 569314-15-4) is a chemical compound with molecular formula C20H20ClN3O3S2 and molecular weight 449.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide
Also Known As: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide, VU0508084-1, 3-(AZEPANE-1-SULFONYL)-N-(1,3-BENZOTHIAZOL-2-YL)-4-CHLOROBENZAMIDE, F3061-0008, 3-(azepan-1-ylsulfonyl)-N-(benzo[d]thiazol-2-yl)-4-chlorobenzamide
| Molecular Formula | C20H20ClN3O3S2 |
|---|---|
| Molecular Weight | 449.06 g/mol |
| LogP | 4.7667 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.06348 |
| Heavy Atoms | 29 |
| Complexity | 1119.7428 |
Chemical Identifiers
| CAS Number | 569314-15-4 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=CC=CC=C4S3)Cl |
Product Overview
3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide (CAS 569314-15-4), with molecular formula C20H20ClN3O3S2 and molecular weight 449.06 g/mol. IUPAC: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide.
Chemical Property Profile of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide
Property Insights of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide
The XLogP value of 4.7667 indicates that 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide. Following Lipinski's Rule of Five, 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide has 1 hydrogen bond donor(s) and 5 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 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide?
The CAS number of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide is 569314-15-4.
What is the molecular formula of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide?
The molecular formula of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide is C20H20ClN3O3S2.
What is the molecular weight of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide?
The molecular weight of 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide is 449.06 g/mol.
Where can I buy 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide?
You can request a quote for 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-4-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.