3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide
TL;DR: 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide (CAS 428834-22-4) is a chemical compound with molecular formula C16H23BrN2O and molecular weight 338.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide
Also Known As: BAS 03086200, 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide, 3-(1-Azepanyl)-N-(4-bromo-3-methylphenyl)propanamide, AT-057/43314329, 3-Azepan-1-yl-N-(4-bromo-3-methyl-phenyl)-propionamide
| Molecular Formula | C16H23BrN2O |
|---|---|
| Molecular Weight | 338.10 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.09937 |
| Heavy Atoms | 20 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 428834-22-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CCN2CCCCCC2)Br |
| InChIKey | XVQRNGIMMISOSA-UHFFFAOYSA-N |
Product Overview
3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide (CAS 428834-22-4), with molecular formula C16H23BrN2O and molecular weight 338.10 g/mol. IUPAC: 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide.
Chemical Property Profile of 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide
Property Insights of 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide
The XLogP value of 4.0 indicates that 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide has 1 hydrogen bond donor(s) and 2 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-(4-bromo-3-methylphenyl)propanamide?
The CAS number of 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide is 428834-22-4.
What is the molecular formula of 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide?
The molecular formula of 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide is C16H23BrN2O.
What is the molecular weight of 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide?
The molecular weight of 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide is 338.10 g/mol.
Where can I buy 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide?
You can request a quote for 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)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-(4-bromo-3-methylphenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepan-1-yl)-N-(4-bromo-3-methylphenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.