Ethyl 2-(2-methylazepan-1-yl)propanoate
TL;DR: Ethyl 2-(2-methylazepan-1-yl)propanoate (CAS 802560-39-0) is a chemical compound with molecular formula C12H23NO2 and molecular weight 213.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-methylazepan-1-yl)propanoate
Also Known As: ethyl 2-(2-methylazepan-1-yl)propanoate, 1H-Azepine-1-acetic acid, hexahydro-alpha,2-dimethyl-, ethyl ester (8CI)
| Molecular Formula | C12H23NO2 |
|---|---|
| Molecular Weight | 213.17 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.17288 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 802560-39-0 |
|---|---|
| SMILES | CCOC(=O)C(C)N1CCCCCC1C |
| InChIKey | KGURDCFEXZQRQY-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(2-methylazepan-1-yl)propanoate (CAS 802560-39-0), with molecular formula C12H23NO2 and molecular weight 213.17 g/mol. IUPAC: ethyl 2-(2-methylazepan-1-yl)propanoate.
Chemical Property Profile of Ethyl 2-(2-methylazepan-1-yl)propanoate
Property Insights of Ethyl 2-(2-methylazepan-1-yl)propanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-methylazepan-1-yl)propanoate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 2-(2-methylazepan-1-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(2-methylazepan-1-yl)propanoate has 0 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 Ethyl 2-(2-methylazepan-1-yl)propanoate?
The CAS number of Ethyl 2-(2-methylazepan-1-yl)propanoate is 802560-39-0.
What is the molecular formula of Ethyl 2-(2-methylazepan-1-yl)propanoate?
The molecular formula of Ethyl 2-(2-methylazepan-1-yl)propanoate is C12H23NO2.
What is the molecular weight of Ethyl 2-(2-methylazepan-1-yl)propanoate?
The molecular weight of Ethyl 2-(2-methylazepan-1-yl)propanoate is 213.17 g/mol.
Where can I buy Ethyl 2-(2-methylazepan-1-yl)propanoate?
You can request a quote for Ethyl 2-(2-methylazepan-1-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-methylazepan-1-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-methylazepan-1-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.