methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate
TL;DR: methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate (CAS 36097-42-4) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate
Also Known As: methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate, Acetyl-4-amino-L-phenylalanine methyl ester, Acetyl-4-amino-L-phenylalanine methyl ester hydrochloride, METHYL (2S)-3-(4-AMINOPHENYL)-2-ACETAMIDOPROPANOATE
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 0.489 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 400.7167 |
Chemical Identifiers
| CAS Number | 36097-42-4 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CC=C(C=C1)N)C(=O)OC |
Product Overview
methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate (CAS 36097-42-4), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate.
Chemical Property Profile of methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate
Property Insights of methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate
The XLogP value of 0.489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate. Following Lipinski's Rule of Five, methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate has 2 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 methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate?
The CAS number of methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate is 36097-42-4.
What is the molecular formula of methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate?
The molecular formula of methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate is C12H16N2O3.
What is the molecular weight of methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate?
The molecular weight of methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate is 236.12 g/mol.
Where can I buy methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate?
You can request a quote for methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S)-2-acetamido-3-(4-aminophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.