Ethyl 3-amino-3-(4-methylphenyl)propanoate
TL;DR: Ethyl 3-amino-3-(4-methylphenyl)propanoate (CAS 94104-32-2) 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.
ethyl 3-amino-3-(4-methylphenyl)propanoate
Also Known As: Ethyl 3-amino-3-(4-methylphenyl)propanoate, Ethyl 3-amino-3-(p-tolyl)propanoate, ChemDiv3_014234, ZERO/001529, ethyl 3-amino-3-(4-tolyl)propionate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 94104-32-2 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC=C(C=C1)C)N |
| InChIKey | JOQNRQTYBXMXQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-amino-3-(4-methylphenyl)propanoate (CAS 94104-32-2), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: ethyl 3-amino-3-(4-methylphenyl)propanoate.
Chemical Property Profile of Ethyl 3-amino-3-(4-methylphenyl)propanoate
Property Insights of Ethyl 3-amino-3-(4-methylphenyl)propanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-3-(4-methylphenyl)propanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 3-amino-3-(4-methylphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 Ethyl 3-amino-3-(4-methylphenyl)propanoate?
The CAS number of Ethyl 3-amino-3-(4-methylphenyl)propanoate is 94104-32-2.
What is the molecular formula of Ethyl 3-amino-3-(4-methylphenyl)propanoate?
The molecular formula of Ethyl 3-amino-3-(4-methylphenyl)propanoate is C12H17NO2.
What is the molecular weight of Ethyl 3-amino-3-(4-methylphenyl)propanoate?
The molecular weight of Ethyl 3-amino-3-(4-methylphenyl)propanoate is 207.13 g/mol.
Where can I buy Ethyl 3-amino-3-(4-methylphenyl)propanoate?
You can request a quote for Ethyl 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 Ethyl 3-amino-3-(4-methylphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-3-(4-methylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.