Methyl 3-(2-phenylethylamino)propanoate
TL;DR: Methyl 3-(2-phenylethylamino)propanoate (CAS 40871-01-0) 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-(2-phenylethylamino)propanoate
Also Known As: Methyl 3-(phenethylamino)propanoate, methyl 3-(2-phenylethylamino)propanoate, methyl 3-[(2-phenylethyl)amino]propanoate, N-phenethyl-beta-alanine methyl ester, 3-(Phenethylamino)propanoic acid methyl ester
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 1.3818 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 284.9334 |
Chemical Identifiers
| CAS Number | 40871-01-0 |
|---|---|
| SMILES | COC(=O)CCNCCC1=CC=CC=C1 |
Product Overview
Methyl 3-(2-phenylethylamino)propanoate (CAS 40871-01-0), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: methyl 3-(2-phenylethylamino)propanoate.
Chemical Property Profile of Methyl 3-(2-phenylethylamino)propanoate
Property Insights of Methyl 3-(2-phenylethylamino)propanoate
The XLogP value of 1.3818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-phenylethylamino)propanoate. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl 3-(2-phenylethylamino)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(2-phenylethylamino)propanoate 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 3-(2-phenylethylamino)propanoate?
The CAS number of Methyl 3-(2-phenylethylamino)propanoate is 40871-01-0.
What is the molecular formula of Methyl 3-(2-phenylethylamino)propanoate?
The molecular formula of Methyl 3-(2-phenylethylamino)propanoate is C12H17NO2.
What is the molecular weight of Methyl 3-(2-phenylethylamino)propanoate?
The molecular weight of Methyl 3-(2-phenylethylamino)propanoate is 207.13 g/mol.
Where can I buy Methyl 3-(2-phenylethylamino)propanoate?
You can request a quote for Methyl 3-(2-phenylethylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-phenylethylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-phenylethylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.