4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid
TL;DR: 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid (CAS 1008200-40-5) is a chemical compound with molecular formula C13H17NO4S2 and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic acid
Also Known As: 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid, 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoic acid, 4-(methylthio)-2-({[2-phenylvinyl]sulfonyl}amino)butanoic acid
| Molecular Formula | C13H17NO4S2 |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 1.783 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 315.0599 |
| Heavy Atoms | 20 |
| Complexity | 554.9937 |
Chemical Identifiers
| CAS Number | 1008200-40-5 |
|---|---|
| SMILES | CSCCC(C(=O)O)NS(=O)(=O)C=CC1=CC=CC=C1 |
Product Overview
4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid (CAS 1008200-40-5), with molecular formula C13H17NO4S2 and molecular weight 315.06 g/mol. IUPAC: 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic acid.
Chemical Property Profile of 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid
Property Insights of 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid
The XLogP value of 1.783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid. Following Lipinski's Rule of Five, 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid has 2 hydrogen bond donor(s) and 4 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 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid?
The CAS number of 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid is 1008200-40-5.
What is the molecular formula of 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid?
The molecular formula of 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid is C13H17NO4S2.
What is the molecular weight of 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid?
The molecular weight of 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid is 315.06 g/mol.
Where can I buy 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid?
You can request a quote for 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-methylsulfanyl-2-(2-phenylethenylsulfonylamino)butanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.