(4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate
TL;DR: (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate (CAS 1008367-25-6) is a chemical compound with molecular formula C20H22ClNO4S2 and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl 4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
Also Known As: (4-chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate, (4-chlorophenyl)methyl 4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate
| Molecular Formula | C20H22ClNO4S2 |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 4.0952 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 439.06787 |
| Heavy Atoms | 28 |
| Complexity | 884.1815 |
Chemical Identifiers
| CAS Number | 1008367-25-6 |
|---|---|
| SMILES | CSCCC(C(=O)OCC1=CC=C(C=C1)Cl)NS(=O)(=O)/C=C/C2=CC=CC=C2 |
Product Overview
(4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate (CAS 1008367-25-6), with molecular formula C20H22ClNO4S2 and molecular weight 439.07 g/mol. IUPAC: (4-chlorophenyl)methyl 4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoate.
Chemical Property Profile of (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate
Property Insights of (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate
The XLogP value of 4.0952 indicates that (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate. Following Lipinski's Rule of Five, (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate 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 (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate?
The CAS number of (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate is 1008367-25-6.
What is the molecular formula of (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate?
The molecular formula of (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate is C20H22ClNO4S2.
What is the molecular weight of (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate?
The molecular weight of (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate is 439.07 g/mol.
Where can I buy (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate?
You can request a quote for (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)methyl 4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.