Methyl 4-aminomethylphenylacetate
TL;DR: Methyl 4-aminomethylphenylacetate (CAS 444807-46-9) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(aminomethyl)phenyl]acetate
Also Known As: METHYL 4-AMINOMETHYLPHENYLACETATE, Methyl 2-[4-(aminomethyl)phenyl]acetate, methyl 2-(4-(aminomethyl)phenyl)acetate, methyl [4-(aminomethyl)phenyl]acetate, METHYL4-AMINOMETHYLPHENYLACETATE
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 0.8608 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 279.48114 |
Chemical Identifiers
| CAS Number | 444807-46-9 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)CN |
Product Overview
Methyl 4-aminomethylphenylacetate (CAS 444807-46-9), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: methyl 2-[4-(aminomethyl)phenyl]acetate.
Chemical Property Profile of Methyl 4-aminomethylphenylacetate
Property Insights of Methyl 4-aminomethylphenylacetate
The XLogP value of 0.8608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-aminomethylphenylacetate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 4-aminomethylphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-aminomethylphenylacetate 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-aminomethylphenylacetate?
The CAS number of Methyl 4-aminomethylphenylacetate is 444807-46-9.
What is the molecular formula of Methyl 4-aminomethylphenylacetate?
The molecular formula of Methyl 4-aminomethylphenylacetate is C10H13NO2.
What is the molecular weight of Methyl 4-aminomethylphenylacetate?
The molecular weight of Methyl 4-aminomethylphenylacetate is 179.09 g/mol.
Where can I buy Methyl 4-aminomethylphenylacetate?
You can request a quote for Methyl 4-aminomethylphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-aminomethylphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-aminomethylphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.