Azepan-1-yl(3,5-dinitrophenyl)methanone
TL;DR: Azepan-1-yl(3,5-dinitrophenyl)methanone (CAS 346723-86-2) is a chemical compound with molecular formula C13H15N3O5 and molecular weight 293.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(3,5-dinitrophenyl)methanone
Also Known As: 1-(3,5-dinitrobenzoyl)azepane, Azepan-1-yl-(3,5-dinitrophenyl)methanone, azepan-1-yl(3,5-dinitrophenyl)methanone, azaperhydroepinyl 3,5-dinitrophenyl ketone
| Molecular Formula | C13H15N3O5 |
|---|---|
| Molecular Weight | 293.10 g/mol |
| LogP | 2.5192 |
| Topological Polar Surface Area | 106.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.10117 |
| Heavy Atoms | 21 |
| Complexity | 546.9195 |
Chemical Identifiers
| CAS Number | 346723-86-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Azepan-1-yl(3,5-dinitrophenyl)methanone (CAS 346723-86-2), with molecular formula C13H15N3O5 and molecular weight 293.10 g/mol. IUPAC: azepan-1-yl-(3,5-dinitrophenyl)methanone.
Chemical Property Profile of Azepan-1-yl(3,5-dinitrophenyl)methanone
Property Insights of Azepan-1-yl(3,5-dinitrophenyl)methanone
The XLogP value of 2.5192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepan-1-yl(3,5-dinitrophenyl)methanone. The TPSA of 106.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Azepan-1-yl(3,5-dinitrophenyl)methanone. Following Lipinski's Rule of Five, Azepan-1-yl(3,5-dinitrophenyl)methanone has 0 hydrogen bond donor(s) and 5 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 Azepan-1-yl(3,5-dinitrophenyl)methanone?
The CAS number of Azepan-1-yl(3,5-dinitrophenyl)methanone is 346723-86-2.
What is the molecular formula of Azepan-1-yl(3,5-dinitrophenyl)methanone?
The molecular formula of Azepan-1-yl(3,5-dinitrophenyl)methanone is C13H15N3O5.
What is the molecular weight of Azepan-1-yl(3,5-dinitrophenyl)methanone?
The molecular weight of Azepan-1-yl(3,5-dinitrophenyl)methanone is 293.10 g/mol.
Where can I buy Azepan-1-yl(3,5-dinitrophenyl)methanone?
You can request a quote for Azepan-1-yl(3,5-dinitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azepan-1-yl(3,5-dinitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl(3,5-dinitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.