Methyl 4-amino-3-phenylbutanoate
TL;DR: Methyl 4-amino-3-phenylbutanoate (CAS 84872-79-7) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-3-phenylbutanoate
Also Known As: methyl 4-amino-3-phenylbutanoate, Methyl ester of phenigama, methyl 4-amino-3-phenyl-butanoate, Butyric acid, 4-amino-3-phenyl-, methyl ester, beta-(Aminomethyl)hydrocinnamic acid methyl ester
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 84872-79-7 |
|---|---|
| SMILES | COC(=O)CC(CN)C1=CC=CC=C1 |
| InChIKey | QGMLRHACACRFNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-amino-3-phenylbutanoate (CAS 84872-79-7), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: methyl 4-amino-3-phenylbutanoate.
Chemical Property Profile of Methyl 4-amino-3-phenylbutanoate
Property Insights of Methyl 4-amino-3-phenylbutanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-3-phenylbutanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 4-amino-3-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-amino-3-phenylbutanoate 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 4-amino-3-phenylbutanoate?
The CAS number of Methyl 4-amino-3-phenylbutanoate is 84872-79-7.
What is the molecular formula of Methyl 4-amino-3-phenylbutanoate?
The molecular formula of Methyl 4-amino-3-phenylbutanoate is C11H15NO2.
What is the molecular weight of Methyl 4-amino-3-phenylbutanoate?
The molecular weight of Methyl 4-amino-3-phenylbutanoate is 193.11 g/mol.
Where can I buy Methyl 4-amino-3-phenylbutanoate?
You can request a quote for Methyl 4-amino-3-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-amino-3-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-3-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.