N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide
TL;DR: N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide (CAS 6978-19-4) is a chemical compound with molecular formula C14H16ClN3O3S and molecular weight 341.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(azepane-1-carbothioyl)-4-chloro-3-nitrobenzamide
Also Known As: N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide, N-(azepane-1-carbothioyl)-4-chloro-3-nitrobenzamide, N-(1-azepanylcarbonothioyl)-4-chloro-3-nitrobenzamide, N-(azepan-1-ylcarbonothioyl)-4-chloro-3-nitrobenzamide
| Molecular Formula | C14H16ClN3O3S |
|---|---|
| Molecular Weight | 341.06 g/mol |
| LogP | 3.1389 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.0601 |
| Heavy Atoms | 22 |
| Complexity | 600.9959 |
Chemical Identifiers
| CAS Number | 6978-19-4 |
|---|---|
| SMILES | C1CCCN(CC1)C(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide (CAS 6978-19-4), with molecular formula C14H16ClN3O3S and molecular weight 341.06 g/mol. IUPAC: N-(azepane-1-carbothioyl)-4-chloro-3-nitrobenzamide.
Chemical Property Profile of N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide
Property Insights of N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide
The XLogP value of 3.1389 indicates that N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide. Following Lipinski's Rule of Five, N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide 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-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide?
The CAS number of N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide is 6978-19-4.
What is the molecular formula of N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide?
The molecular formula of N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide is C14H16ClN3O3S.
What is the molecular weight of N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide?
The molecular weight of N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide is 341.06 g/mol.
Where can I buy N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide?
You can request a quote for N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(azepane-1-carbothioyl)-4-chloro-3-nitro-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.