(2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate
TL;DR: (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate (CAS 4703-33-7) is a chemical compound with molecular formula C12H16NO4S2- and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate
Also Known As: N-Tosyl-DL-methionine, (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate
| Molecular Formula | C12H16NO4S2- |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 0.14492 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 302.05206 |
| Heavy Atoms | 19 |
| Complexity | 525.1653 |
Chemical Identifiers
| CAS Number | 4703-33-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCSC)C(=O)[O-] |
Product Overview
(2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate (CAS 4703-33-7), with molecular formula C12H16NO4S2- and molecular weight 302.05 g/mol. IUPAC: (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate.
Chemical Property Profile of (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate
Property Insights of (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate
The XLogP value of 0.14492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate. Following Lipinski's Rule of Five, (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate has 1 hydrogen bond donor(s) and 5 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 (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate?
The CAS number of (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate is 4703-33-7.
What is the molecular formula of (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate?
The molecular formula of (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate is C12H16NO4S2-.
What is the molecular weight of (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate?
The molecular weight of (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate is 302.05 g/mol.
Where can I buy (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate?
You can request a quote for (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.