![3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid structure](/static/products/4280/42803-77-0.webp)
3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid
TL;DR: 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid (CAS 42803-77-0) is a chemical compound with molecular formula C15H17NO3S and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid
Also Known As: 3-(Ethyl(phenylmethyl)amino)benzenesulfonic acid, Benzenesulfonic acid, 3-(ethyl(phenylmethyl)amino)-, Benzenesulfonic acid, 3-[ethyl(phenylmethyl)amino]-, 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid
| Molecular Formula | C15H17NO3S |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 2.48422 |
| Topological Polar Surface Area | 80.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.09293 |
| Heavy Atoms | 20 |
| Complexity | 693.3135 |
Chemical Identifiers
| CAS Number | 42803-77-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)[C@H](CC2=CC(=CC=C2)S(=O)(=O)O)N |
Product Overview
3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid (CAS 42803-77-0), with molecular formula C15H17NO3S and molecular weight 291.09 g/mol. IUPAC: 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid.
Chemical Property Profile of 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid
Property Insights of 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid
The XLogP value of 2.48422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid. The TPSA of 80.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid. Following Lipinski's Rule of Five, 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid has 2 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 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid?
The CAS number of 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid is 42803-77-0.
What is the molecular formula of 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid?
The molecular formula of 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid is C15H17NO3S.
What is the molecular weight of 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid?
The molecular weight of 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid is 291.09 g/mol.
Where can I buy 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid?
You can request a quote for 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2S)-2-amino-2-(4-methylphenyl)ethyl]benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.