1-(4-Chloro-3-nitrobenzoyl)azepane
TL;DR: 1-(4-Chloro-3-nitrobenzoyl)azepane (CAS 328258-55-5) is a chemical compound with molecular formula C13H15ClN2O3 and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(4-chloro-3-nitrophenyl)methanone
Also Known As: 1-(4-chloro-3-nitrobenzoyl)azepane, 1-{4-chloro-3-nitrobenzoyl}azepane, azepan-1-yl-(4-chloro-3-nitrophenyl)methanone, azepan-1-yl(4-chloro-3-nitrophenyl)methanone, BAS 00374981
| Molecular Formula | C13H15ClN2O3 |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.07712 |
| Heavy Atoms | 19 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 328258-55-5 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | DFRRKLYXQKCLQI-UHFFFAOYSA-N |
Product Overview
1-(4-Chloro-3-nitrobenzoyl)azepane (CAS 328258-55-5), with molecular formula C13H15ClN2O3 and molecular weight 282.08 g/mol. IUPAC: azepan-1-yl-(4-chloro-3-nitrophenyl)methanone.
Chemical Property Profile of 1-(4-Chloro-3-nitrobenzoyl)azepane
Property Insights of 1-(4-Chloro-3-nitrobenzoyl)azepane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloro-3-nitrobenzoyl)azepane. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-3-nitrobenzoyl)azepane. Following Lipinski's Rule of Five, 1-(4-Chloro-3-nitrobenzoyl)azepane has 0 hydrogen bond donor(s) and 3 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 1-(4-Chloro-3-nitrobenzoyl)azepane?
The CAS number of 1-(4-Chloro-3-nitrobenzoyl)azepane is 328258-55-5.
What is the molecular formula of 1-(4-Chloro-3-nitrobenzoyl)azepane?
The molecular formula of 1-(4-Chloro-3-nitrobenzoyl)azepane is C13H15ClN2O3.
What is the molecular weight of 1-(4-Chloro-3-nitrobenzoyl)azepane?
The molecular weight of 1-(4-Chloro-3-nitrobenzoyl)azepane is 282.08 g/mol.
Where can I buy 1-(4-Chloro-3-nitrobenzoyl)azepane?
You can request a quote for 1-(4-Chloro-3-nitrobenzoyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-3-nitrobenzoyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-3-nitrobenzoyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.