beta-Alanine, N-ethyl-N-phenyl-, methyl ester
TL;DR: beta-Alanine, N-ethyl-N-phenyl-, methyl ester (CAS 21608-06-0) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(N-ethylanilino)propanoate
Also Known As: N-Ethyl-N-methoxycarbonylethyl aniline, methyl 3-(N-ethylanilino)propanoate, Methyl N-ethyl-N-phenyl-beta-alaninate, N-Ethyl-N-methoxy carbonyl ethyl aniline, beta-Alanine, N-ethyl-N-phenyl-, methyl ester
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 21608-06-0 |
|---|---|
| SMILES | CCN(CCC(=O)OC)C1=CC=CC=C1 |
| InChIKey | AGKYCLGMYBHGSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Alanine, N-ethyl-N-phenyl-, methyl ester (CAS 21608-06-0), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: methyl 3-(N-ethylanilino)propanoate.
Chemical Property Profile of beta-Alanine, N-ethyl-N-phenyl-, methyl ester
Property Insights of beta-Alanine, N-ethyl-N-phenyl-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-ethyl-N-phenyl-, methyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, beta-Alanine, N-ethyl-N-phenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N-ethyl-N-phenyl-, methyl ester 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 beta-Alanine, N-ethyl-N-phenyl-, methyl ester?
The CAS number of beta-Alanine, N-ethyl-N-phenyl-, methyl ester is 21608-06-0.
What is the molecular formula of beta-Alanine, N-ethyl-N-phenyl-, methyl ester?
The molecular formula of beta-Alanine, N-ethyl-N-phenyl-, methyl ester is C12H17NO2.
What is the molecular weight of beta-Alanine, N-ethyl-N-phenyl-, methyl ester?
The molecular weight of beta-Alanine, N-ethyl-N-phenyl-, methyl ester is 207.13 g/mol.
Where can I buy beta-Alanine, N-ethyl-N-phenyl-, methyl ester?
You can request a quote for beta-Alanine, N-ethyl-N-phenyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-ethyl-N-phenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-ethyl-N-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.