Methyl 4-amino-3-(4-methylphenyl)butanoate
TL;DR: Methyl 4-amino-3-(4-methylphenyl)butanoate (CAS 487017-62-9) 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.
methyl 4-amino-3-(4-methylphenyl)butanoate
Also Known As: Methyl 4-amino-3-(4-methylphenyl)butanoate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 1.60042 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 318.89893 |
Chemical Identifiers
| CAS Number | 487017-62-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(CC(=O)OC)CN |
Product Overview
Methyl 4-amino-3-(4-methylphenyl)butanoate (CAS 487017-62-9), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: methyl 4-amino-3-(4-methylphenyl)butanoate.
Chemical Property Profile of Methyl 4-amino-3-(4-methylphenyl)butanoate
Property Insights of Methyl 4-amino-3-(4-methylphenyl)butanoate
The XLogP value of 1.60042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-3-(4-methylphenyl)butanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 4-amino-3-(4-methylphenyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-amino-3-(4-methylphenyl)butanoate 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-amino-3-(4-methylphenyl)butanoate?
The CAS number of Methyl 4-amino-3-(4-methylphenyl)butanoate is 487017-62-9.
What is the molecular formula of Methyl 4-amino-3-(4-methylphenyl)butanoate?
The molecular formula of Methyl 4-amino-3-(4-methylphenyl)butanoate is C12H17NO2.
What is the molecular weight of Methyl 4-amino-3-(4-methylphenyl)butanoate?
The molecular weight of Methyl 4-amino-3-(4-methylphenyl)butanoate is 207.13 g/mol.
Where can I buy Methyl 4-amino-3-(4-methylphenyl)butanoate?
You can request a quote for Methyl 4-amino-3-(4-methylphenyl)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-(4-methylphenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-3-(4-methylphenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.