Methyl N-(azepane-1-carbonyl)alaninate
TL;DR: Methyl N-(azepane-1-carbonyl)alaninate (CAS 4895-37-8) is a chemical compound with molecular formula C11H20N2O3 and molecular weight 228.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(azepane-1-carbonylamino)propanoate
Also Known As: Methyl 2-(azepane-1-carbonylamino)propanoate, Methyl N-(azepane-1-carbonyl)alaninate
| Molecular Formula | C11H20N2O3 |
|---|---|
| Molecular Weight | 228.15 g/mol |
| LogP | 1.1335 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.1474 |
| Heavy Atoms | 16 |
| Complexity | 247.61423 |
Chemical Identifiers
| CAS Number | 4895-37-8 |
|---|---|
| SMILES | CC(C(=O)OC)NC(=O)N1CCCCCC1 |
Product Overview
Methyl N-(azepane-1-carbonyl)alaninate (CAS 4895-37-8), with molecular formula C11H20N2O3 and molecular weight 228.15 g/mol. IUPAC: methyl 2-(azepane-1-carbonylamino)propanoate.
Chemical Property Profile of Methyl N-(azepane-1-carbonyl)alaninate
Property Insights of Methyl N-(azepane-1-carbonyl)alaninate
The XLogP value of 1.1335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(azepane-1-carbonyl)alaninate. With a topological polar surface area (TPSA) of 58.64 Ų, Methyl N-(azepane-1-carbonyl)alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-(azepane-1-carbonyl)alaninate has 1 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 Methyl N-(azepane-1-carbonyl)alaninate?
The CAS number of Methyl N-(azepane-1-carbonyl)alaninate is 4895-37-8.
What is the molecular formula of Methyl N-(azepane-1-carbonyl)alaninate?
The molecular formula of Methyl N-(azepane-1-carbonyl)alaninate is C11H20N2O3.
What is the molecular weight of Methyl N-(azepane-1-carbonyl)alaninate?
The molecular weight of Methyl N-(azepane-1-carbonyl)alaninate is 228.15 g/mol.
Where can I buy Methyl N-(azepane-1-carbonyl)alaninate?
You can request a quote for Methyl N-(azepane-1-carbonyl)alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(azepane-1-carbonyl)alaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(azepane-1-carbonyl)alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.