Ethyl 3-(cyclohexylamino)butanoate
TL;DR: Ethyl 3-(cyclohexylamino)butanoate (CAS 7213-97-0) 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 3-(cyclohexylamino)butanoate
Also Known As: ethyl 3-(cyclohexylamino)butanoate, Ethyl 3-(cyclohexylamino)butyrate, 3-Cyclohexylamino-acrylsaeuremethylester, 3-(Cyclohexylamino)butyric acid ethyl ester
| Molecular Formula | C12H23NO2 |
|---|---|
| Molecular Weight | 213.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 213.17288 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 7213-97-0 |
|---|---|
| SMILES | CCOC(=O)CC(C)NC1CCCCC1 |
| InChIKey | KXEHYCKEESXDPY-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(cyclohexylamino)butanoate (CAS 7213-97-0), with molecular formula C12H23NO2 and molecular weight 213.17 g/mol. IUPAC: ethyl 3-(cyclohexylamino)butanoate.
Chemical Property Profile of Ethyl 3-(cyclohexylamino)butanoate
Property Insights of Ethyl 3-(cyclohexylamino)butanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(cyclohexylamino)butanoate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 3-(cyclohexylamino)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(cyclohexylamino)butanoate 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 Ethyl 3-(cyclohexylamino)butanoate?
The CAS number of Ethyl 3-(cyclohexylamino)butanoate is 7213-97-0.
What is the molecular formula of Ethyl 3-(cyclohexylamino)butanoate?
The molecular formula of Ethyl 3-(cyclohexylamino)butanoate is C12H23NO2.
What is the molecular weight of Ethyl 3-(cyclohexylamino)butanoate?
The molecular weight of Ethyl 3-(cyclohexylamino)butanoate is 213.17 g/mol.
Where can I buy Ethyl 3-(cyclohexylamino)butanoate?
You can request a quote for Ethyl 3-(cyclohexylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(cyclohexylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(cyclohexylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.