1-(4-Methoxy-3-nitrobenzoyl)azepane
TL;DR: 1-(4-Methoxy-3-nitrobenzoyl)azepane (CAS 328259-58-1) is a chemical compound with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(4-methoxy-3-nitrophenyl)methanone
Also Known As: 1-(4-METHOXY-3-NITROBENZOYL)AZEPANE, 1-{3-nitro-4-methoxybenzoyl}azepane, azepan-1-yl-(4-methoxy-3-nitrophenyl)methanone, azepan-1-yl(4-methoxy-3-nitrophenyl)methanone, 1-[(4-methoxy-3-nitrophenyl)carbonyl]azepane
| Molecular Formula | C14H18N2O4 |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.12665 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 328259-58-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N2CCCCCC2)[N+](=O)[O-] |
| InChIKey | NPYAPIUCPYXJRT-UHFFFAOYSA-N |
Product Overview
1-(4-Methoxy-3-nitrobenzoyl)azepane (CAS 328259-58-1), with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol. IUPAC: azepan-1-yl-(4-methoxy-3-nitrophenyl)methanone.
Chemical Property Profile of 1-(4-Methoxy-3-nitrobenzoyl)azepane
Property Insights of 1-(4-Methoxy-3-nitrobenzoyl)azepane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxy-3-nitrobenzoyl)azepane. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methoxy-3-nitrobenzoyl)azepane. Following Lipinski's Rule of Five, 1-(4-Methoxy-3-nitrobenzoyl)azepane has 0 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 1-(4-Methoxy-3-nitrobenzoyl)azepane?
The CAS number of 1-(4-Methoxy-3-nitrobenzoyl)azepane is 328259-58-1.
What is the molecular formula of 1-(4-Methoxy-3-nitrobenzoyl)azepane?
The molecular formula of 1-(4-Methoxy-3-nitrobenzoyl)azepane is C14H18N2O4.
What is the molecular weight of 1-(4-Methoxy-3-nitrobenzoyl)azepane?
The molecular weight of 1-(4-Methoxy-3-nitrobenzoyl)azepane is 278.13 g/mol.
Where can I buy 1-(4-Methoxy-3-nitrobenzoyl)azepane?
You can request a quote for 1-(4-Methoxy-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-Methoxy-3-nitrobenzoyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxy-3-nitrobenzoyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.