ethyl N-acetyl-N-ethyl-beta-alaninate
TL;DR: ethyl N-acetyl-N-ethyl-beta-alaninate (CAS 52624-13-2) is a chemical compound with molecular formula C9H17NO3 and molecular weight 187.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[acetyl(ethyl)amino]propanoate
Also Known As: ethyl n-acetyl-n-ethyl-, A-alaninate, ethyl N-acetyl-N-ethyl-beta-alaninate, ethyl 3-[acetyl(ethyl)amino]propanoate, ETHYL 3-(N-ETHYLACETAMIDO)PROPANOATE
| Molecular Formula | C9H17NO3 |
|---|---|
| Molecular Weight | 187.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 187.12085 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 52624-13-2 |
|---|---|
| SMILES | CCN(CCC(=O)OCC)C(=O)C |
| InChIKey | KCROSYWIKWNHMK-UHFFFAOYSA-N |
Product Overview
ethyl N-acetyl-N-ethyl-beta-alaninate (CAS 52624-13-2), with molecular formula C9H17NO3 and molecular weight 187.12 g/mol. IUPAC: ethyl 3-[acetyl(ethyl)amino]propanoate.
Chemical Property Profile of ethyl N-acetyl-N-ethyl-beta-alaninate
Property Insights of ethyl N-acetyl-N-ethyl-beta-alaninate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-acetyl-N-ethyl-beta-alaninate. With a topological polar surface area (TPSA) of 46.6 Ų, ethyl N-acetyl-N-ethyl-beta-alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-acetyl-N-ethyl-beta-alaninate 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 N-acetyl-N-ethyl-beta-alaninate?
The CAS number of ethyl N-acetyl-N-ethyl-beta-alaninate is 52624-13-2.
What is the molecular formula of ethyl N-acetyl-N-ethyl-beta-alaninate?
The molecular formula of ethyl N-acetyl-N-ethyl-beta-alaninate is C9H17NO3.
What is the molecular weight of ethyl N-acetyl-N-ethyl-beta-alaninate?
The molecular weight of ethyl N-acetyl-N-ethyl-beta-alaninate is 187.12 g/mol.
Where can I buy ethyl N-acetyl-N-ethyl-beta-alaninate?
You can request a quote for ethyl N-acetyl-N-ethyl-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-acetyl-N-ethyl-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-acetyl-N-ethyl-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.