Methyl 3-amino-3-(4-methylphenyl)propanoate
TL;DR: Methyl 3-amino-3-(4-methylphenyl)propanoate (CAS 1213648-97-5) 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 3-amino-3-(4-methylphenyl)propanoate
Also Known As: Methyl 3-amino-3-(4-methylphenyl)propanoate, Methyl 3-amino-3-(p-tolyl)propanoate, Methyl (R)-3-amino-3-(p-tolyl)propanoate, Methyl3-amino-3-(4-methylphenyl)propanoate, Methyl I(2)-amino-4-methylbenzenepropanoate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 1.55792 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 305.5685 |
Chemical Identifiers
| CAS Number | 1213648-97-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CC(=O)OC)N |
Product Overview
Methyl 3-amino-3-(4-methylphenyl)propanoate (CAS 1213648-97-5), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: methyl 3-amino-3-(4-methylphenyl)propanoate.
Chemical Property Profile of Methyl 3-amino-3-(4-methylphenyl)propanoate
Property Insights of Methyl 3-amino-3-(4-methylphenyl)propanoate
The XLogP value of 1.55792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-3-(4-methylphenyl)propanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 3-amino-3-(4-methylphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-3-(4-methylphenyl)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-amino-3-(4-methylphenyl)propanoate?
The CAS number of Methyl 3-amino-3-(4-methylphenyl)propanoate is 1213648-97-5.
What is the molecular formula of Methyl 3-amino-3-(4-methylphenyl)propanoate?
The molecular formula of Methyl 3-amino-3-(4-methylphenyl)propanoate is C11H15NO2.
What is the molecular weight of Methyl 3-amino-3-(4-methylphenyl)propanoate?
The molecular weight of Methyl 3-amino-3-(4-methylphenyl)propanoate is 193.11 g/mol.
Where can I buy Methyl 3-amino-3-(4-methylphenyl)propanoate?
You can request a quote for Methyl 3-amino-3-(4-methylphenyl)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-amino-3-(4-methylphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-amino-3-(4-methylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.