![2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide structure](/static/products/361/361987-68-0.png)
2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide
TL;DR: 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide (CAS 361987-68-0) is a chemical compound with molecular formula C26H23ClN4O3S2 and molecular weight 538.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide
Also Known As: 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide, 2-(azepan-1-yl)-N-(4-(benzo[d]thiazol-2-ylthio)-3-chlorophenyl)-5-nitrobenzamide, 2-(azepan-1-yl)-N-(4-benzothiazol-2-ylsulfanyl-3-chloro-phenyl)-5-nitro-benzamide
| Molecular Formula | C26H23ClN4O3S2 |
|---|---|
| Molecular Weight | 538.09 g/mol |
| LogP | 7.6418 |
| Topological Polar Surface Area | 88.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.09 |
| Heavy Atoms | 36 |
| Complexity | 1400.9891 |
Chemical Identifiers
| CAS Number | 361987-68-0 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)SC4=NC5=CC=CC=C5S4)Cl |
Product Overview
2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide (CAS 361987-68-0), with molecular formula C26H23ClN4O3S2 and molecular weight 538.09 g/mol. IUPAC: 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide.
Chemical Property Profile of 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide
Property Insights of 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide
The XLogP value of 7.6418 indicates that 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide. Following Lipinski's Rule of Five, 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide?
The CAS number of 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide is 361987-68-0.
What is the molecular formula of 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide?
The molecular formula of 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide is C26H23ClN4O3S2.
What is the molecular weight of 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide?
The molecular weight of 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide is 538.09 g/mol.
Where can I buy 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide?
You can request a quote for 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.