3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
TL;DR: 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide (CAS 429620-73-5) is a chemical compound with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
Also Known As: 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide, AT-057/43315929, 3-(1-azepanyl)-N-(2-methoxy-5-nitrophenyl)propanamide, 3-(azepan-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide, 3-(1-AZEPANYL)-N~1~-(2-METHOXY-5-NITROPHENYL)PROPANAMIDE
| Molecular Formula | C16H23N3O4 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.16885 |
| Heavy Atoms | 23 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 429620-73-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCN2CCCCCC2 |
| InChIKey | BLABIWLFEDFEEH-UHFFFAOYSA-N |
Product Overview
3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide (CAS 429620-73-5), with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol. IUPAC: 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide.
Chemical Property Profile of 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
Property Insights of 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide. Following Lipinski's Rule of Five, 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide has 1 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 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide?
The CAS number of 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide is 429620-73-5.
What is the molecular formula of 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide?
The molecular formula of 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide is C16H23N3O4.
What is the molecular weight of 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide?
The molecular weight of 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide is 321.17 g/mol.
Where can I buy 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide?
You can request a quote for 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepan-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.