ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate
TL;DR: ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate (CAS 360059-20-7) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate
Also Known As: ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate, ZERO/001767, -3-Amino-3- propionicacidethylester, 4-Amino-6-indolecarboxylic acid methyl ester, (S)-3-Amino-3-(4-methoxyphenyl)propionicacidethylester
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 360059-20-7 |
|---|---|
| SMILES | CCOC(=O)C[C@@H](C1=CC=C(C=C1)OC)N |
| InChIKey | UFUNPGDQFVGWDX-NSHDSACASA-N |
Product Overview
ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate (CAS 360059-20-7), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate.
Chemical Property Profile of ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate
Property Insights of ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate. Following Lipinski's Rule of Five, ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate has 1 hydrogen bond donor(s) and 4 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 (3S)-3-amino-3-(4-methoxyphenyl)propanoate?
The CAS number of ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate is 360059-20-7.
What is the molecular formula of ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate?
The molecular formula of ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate is C12H17NO3.
What is the molecular weight of ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate?
The molecular weight of ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate is 223.12 g/mol.
Where can I buy ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate?
You can request a quote for ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3S)-3-amino-3-(4-methoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.