Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)-
TL;DR: Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)- (CAS 67112-58-7) is a chemical compound with molecular formula C11H16ClNO2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-amino-3-(4-methylphenyl)butanoic acid;hydrochloride
Also Known As: Sid 206801, (-)-3-(p-Tolyl)-4-aminobutyric acid hydrochloride, Butyric acid, 4-amino-3-(p-tolyl)-, hydrochloride, (-)-, (3R)-4-amino-3-(4-methylphenyl)butanoic acid hydrochloride, Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)-
| Molecular Formula | C11H16ClNO2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 1.93382 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.08696 |
| Heavy Atoms | 15 |
| Complexity | 310.8689 |
Chemical Identifiers
| CAS Number | 67112-58-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)[C@H](CC(=O)O)CN.Cl |
Product Overview
Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)- (CAS 67112-58-7), with molecular formula C11H16ClNO2 and molecular weight 229.09 g/mol. IUPAC: (3S)-4-amino-3-(4-methylphenyl)butanoic acid;hydrochloride.
Chemical Property Profile of Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)-
Property Insights of Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)-
The XLogP value of 1.93382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)-. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)-. Following Lipinski's Rule of Five, Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)- has 2 hydrogen bond donor(s) and 2 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 Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)-?
The CAS number of Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)- is 67112-58-7.
What is the molecular formula of Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)-?
The molecular formula of Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)- is C11H16ClNO2.
What is the molecular weight of Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)-?
The molecular weight of Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)- is 229.09 g/mol.
Where can I buy Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)-?
You can request a quote for Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanoic acid, beta-(aminomethyl)-4-methyl-, hydrochloride, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.