2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
TL;DR: 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide (CAS 449760-72-9) is a chemical compound with molecular formula C14H18ClN3O3 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
Also Known As: 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide, 2-(azepan-1-yl)-N-(2-chloro-5-nitro-phenyl)acetamide
| Molecular Formula | C14H18ClN3O3 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 3.0627 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.10367 |
| Heavy Atoms | 21 |
| Complexity | 528.19556 |
Chemical Identifiers
| CAS Number | 449760-72-9 |
|---|---|
| SMILES | C1CCCN(CC1)CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl |
Product Overview
2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide (CAS 449760-72-9), with molecular formula C14H18ClN3O3 and molecular weight 311.10 g/mol. IUPAC: 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide.
Chemical Property Profile of 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
Property Insights of 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide
The XLogP value of 3.0627 indicates that 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide 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 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide 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 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide?
The CAS number of 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide is 449760-72-9.
What is the molecular formula of 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide?
The molecular formula of 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide is C14H18ClN3O3.
What is the molecular weight of 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide?
The molecular weight of 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide is 311.10 g/mol.
Where can I buy 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide?
You can request a quote for 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide 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-(2-chloro-5-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(azepan-1-yl)-N-(2-chloro-5-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.