Methyl 4-amino-3-(2-methoxyphenyl)butanoate
TL;DR: Methyl 4-amino-3-(2-methoxyphenyl)butanoate (CAS 445409-53-0) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-3-(2-methoxyphenyl)butanoate
Also Known As: Methyl 4-amino-3-(2-methoxyphenyl)butanoate
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.3006 |
| Topological Polar Surface Area | 61.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 351.87204 |
Chemical Identifiers
| CAS Number | 445409-53-0 |
|---|---|
| SMILES | COC1=CC=CC=C1C(CC(=O)OC)CN |
Product Overview
Methyl 4-amino-3-(2-methoxyphenyl)butanoate (CAS 445409-53-0), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: methyl 4-amino-3-(2-methoxyphenyl)butanoate.
Chemical Property Profile of Methyl 4-amino-3-(2-methoxyphenyl)butanoate
Property Insights of Methyl 4-amino-3-(2-methoxyphenyl)butanoate
The XLogP value of 1.3006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-3-(2-methoxyphenyl)butanoate. The TPSA of 61.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-amino-3-(2-methoxyphenyl)butanoate. Following Lipinski's Rule of Five, Methyl 4-amino-3-(2-methoxyphenyl)butanoate has 1 hydrogen bond donor(s) and 4 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-(2-methoxyphenyl)butanoate?
The CAS number of Methyl 4-amino-3-(2-methoxyphenyl)butanoate is 445409-53-0.
What is the molecular formula of Methyl 4-amino-3-(2-methoxyphenyl)butanoate?
The molecular formula of Methyl 4-amino-3-(2-methoxyphenyl)butanoate is C12H17NO3.
What is the molecular weight of Methyl 4-amino-3-(2-methoxyphenyl)butanoate?
The molecular weight of Methyl 4-amino-3-(2-methoxyphenyl)butanoate is 223.12 g/mol.
Where can I buy Methyl 4-amino-3-(2-methoxyphenyl)butanoate?
You can request a quote for Methyl 4-amino-3-(2-methoxyphenyl)butanoate 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-(2-methoxyphenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-3-(2-methoxyphenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.