gamma-Aminobutyric acid benzyl ester
TL;DR: gamma-Aminobutyric acid benzyl ester (CAS 46347-99-3) 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.
benzyl 4-aminobutanoate
Also Known As: benzyl 4-aminobutanoate, GABA benzyl ester, 4-Aminobenzyl butyrate, gamma-Aminobutyric acid benzyl ester, benzyl 4-aminobutyrate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 1.4687 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 271.87582 |
Chemical Identifiers
| CAS Number | 46347-99-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CCCN |
Product Overview
gamma-Aminobutyric acid benzyl ester (CAS 46347-99-3), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: benzyl 4-aminobutanoate.
Chemical Property Profile of gamma-Aminobutyric acid benzyl ester
Property Insights of gamma-Aminobutyric acid benzyl ester
The XLogP value of 1.4687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for gamma-Aminobutyric acid benzyl ester. With a topological polar surface area (TPSA) of 52.32 Ų, gamma-Aminobutyric acid benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, gamma-Aminobutyric acid benzyl ester 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 gamma-Aminobutyric acid benzyl ester?
The CAS number of gamma-Aminobutyric acid benzyl ester is 46347-99-3.
What is the molecular formula of gamma-Aminobutyric acid benzyl ester?
The molecular formula of gamma-Aminobutyric acid benzyl ester is C11H15NO2.
What is the molecular weight of gamma-Aminobutyric acid benzyl ester?
The molecular weight of gamma-Aminobutyric acid benzyl ester is 193.11 g/mol.
Where can I buy gamma-Aminobutyric acid benzyl ester?
You can request a quote for gamma-Aminobutyric acid benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for gamma-Aminobutyric acid benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for gamma-Aminobutyric acid benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.