Methyl 3-anilinobutanoate
TL;DR: Methyl 3-anilinobutanoate (CAS 40871-06-5) 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-anilinobutanoate
Also Known As: Methyl 3-anilinobutanoate, Methyl 3-(N-phenylamino)butyrate, methyl 3-(phenylamino)butanoate, 3-Anilinobutyric acid methyl ester, 3-(Phenylamino)butyric acid methyl ester
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.0501 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 284.59882 |
Chemical Identifiers
| CAS Number | 40871-06-5 |
|---|---|
| SMILES | CC(CC(=O)OC)NC1=CC=CC=C1 |
Product Overview
Methyl 3-anilinobutanoate (CAS 40871-06-5), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: methyl 3-anilinobutanoate.
Chemical Property Profile of Methyl 3-anilinobutanoate
Property Insights of Methyl 3-anilinobutanoate
The XLogP value of 2.0501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-anilinobutanoate. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl 3-anilinobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-anilinobutanoate 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-anilinobutanoate?
The CAS number of Methyl 3-anilinobutanoate is 40871-06-5.
What is the molecular formula of Methyl 3-anilinobutanoate?
The molecular formula of Methyl 3-anilinobutanoate is C11H15NO2.
What is the molecular weight of Methyl 3-anilinobutanoate?
The molecular weight of Methyl 3-anilinobutanoate is 193.11 g/mol.
Where can I buy Methyl 3-anilinobutanoate?
You can request a quote for Methyl 3-anilinobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-anilinobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-anilinobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.