![Methyl 3-[4-(aminomethyl)phenyl]propionate structure](/static/products/100/100512-01-4.png)
Methyl 3-[4-(aminomethyl)phenyl]propionate
TL;DR: Methyl 3-[4-(aminomethyl)phenyl]propionate (CAS 100512-01-4) 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-[4-(aminomethyl)phenyl]propanoate
Also Known As: Methyl 3-[4-(aminomethyl)phenyl]propionate, methyl 3-[4-(aminomethyl)phenyl]propanoate, methyl 3-(4-(aminomethyl)phenyl)propanoate, 3-(4-Aminomethyl-phenyl)-propionic acid methyl ester, 4-(2-methoxycarbonylethyl)benzylamine
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 1.2 |
| 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 | 174.0 |
Chemical Identifiers
| CAS Number | 100512-01-4 |
|---|---|
| SMILES | COC(=O)CCC1=CC=C(C=C1)CN |
| InChIKey | OQZWLJLXFNYXKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-[4-(aminomethyl)phenyl]propionate (CAS 100512-01-4), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: methyl 3-[4-(aminomethyl)phenyl]propanoate.
Chemical Property Profile of Methyl 3-[4-(aminomethyl)phenyl]propionate
Property Insights of Methyl 3-[4-(aminomethyl)phenyl]propionate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[4-(aminomethyl)phenyl]propionate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 3-[4-(aminomethyl)phenyl]propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[4-(aminomethyl)phenyl]propionate 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-[4-(aminomethyl)phenyl]propionate?
The CAS number of Methyl 3-[4-(aminomethyl)phenyl]propionate is 100512-01-4.
What is the molecular formula of Methyl 3-[4-(aminomethyl)phenyl]propionate?
The molecular formula of Methyl 3-[4-(aminomethyl)phenyl]propionate is C11H15NO2.
What is the molecular weight of Methyl 3-[4-(aminomethyl)phenyl]propionate?
The molecular weight of Methyl 3-[4-(aminomethyl)phenyl]propionate is 193.11 g/mol.
Where can I buy Methyl 3-[4-(aminomethyl)phenyl]propionate?
You can request a quote for Methyl 3-[4-(aminomethyl)phenyl]propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[4-(aminomethyl)phenyl]propionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[4-(aminomethyl)phenyl]propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.