1-(2-Chloro-5-nitrobenzoyl)azepane
TL;DR: 1-(2-Chloro-5-nitrobenzoyl)azepane (CAS 329939-98-2) 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-(2-chloro-5-nitrophenyl)methanone
Also Known As: 1-{2-chloro-5-nitrobenzoyl}azepane, BAS 00783197, 1-[(2-chloro-5-nitrophenyl)carbonyl]azepane, azepan-1-yl-(2-chloro-5-nitrophenyl)methanone, 1-(2-CHLORO-5-NITROBENZOYL)AZEPANE
| Molecular Formula | C13H15ClN2O3 |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 3.2 |
| 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 | 329939-98-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl |
| InChIKey | ZMUSPVMWJLXHES-UHFFFAOYSA-N |
Product Overview
1-(2-Chloro-5-nitrobenzoyl)azepane (CAS 329939-98-2), with molecular formula C13H15ClN2O3 and molecular weight 282.08 g/mol. IUPAC: azepan-1-yl-(2-chloro-5-nitrophenyl)methanone.
Chemical Property Profile of 1-(2-Chloro-5-nitrobenzoyl)azepane
Property Insights of 1-(2-Chloro-5-nitrobenzoyl)azepane
The XLogP value of 3.2 indicates that 1-(2-Chloro-5-nitrobenzoyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloro-5-nitrobenzoyl)azepane. Following Lipinski's Rule of Five, 1-(2-Chloro-5-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-(2-Chloro-5-nitrobenzoyl)azepane?
The CAS number of 1-(2-Chloro-5-nitrobenzoyl)azepane is 329939-98-2.
What is the molecular formula of 1-(2-Chloro-5-nitrobenzoyl)azepane?
The molecular formula of 1-(2-Chloro-5-nitrobenzoyl)azepane is C13H15ClN2O3.
What is the molecular weight of 1-(2-Chloro-5-nitrobenzoyl)azepane?
The molecular weight of 1-(2-Chloro-5-nitrobenzoyl)azepane is 282.08 g/mol.
Where can I buy 1-(2-Chloro-5-nitrobenzoyl)azepane?
You can request a quote for 1-(2-Chloro-5-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-(2-Chloro-5-nitrobenzoyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-5-nitrobenzoyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.