(3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid
TL;DR: (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid (CAS 1213618-49-5) 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.
(3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid
Also Known As: 3-amino-3-(2,4-dimethylphenyl)propanoic acid, (S)-3-Amino-3-(2,4-dimethylphenyl)propanoic acid, Benzenepropanoic acid, -amino-2,4-dimethyl-, (S)-, Benzenepropanoic acid, beta-amino-2,4-dimethyl-, (betaS)-
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 1.77794 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 347.1408 |
Chemical Identifiers
| CAS Number | 1213618-49-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)[C@H](CC(=O)O)N)C |
Product Overview
(3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid (CAS 1213618-49-5), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid.
Chemical Property Profile of (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid
Property Insights of (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid
The XLogP value of 1.77794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid. Following Lipinski's Rule of Five, (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid 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 (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid?
The CAS number of (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid is 1213618-49-5.
What is the molecular formula of (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid?
The molecular formula of (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid is C11H15NO2.
What is the molecular weight of (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid?
The molecular weight of (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid is 193.11 g/mol.
Where can I buy (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid?
You can request a quote for (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-amino-3-(2,4-dimethylphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.