Methyl 2-(4-chlorobenzenesulfonyl)acetate
TL;DR: Methyl 2-(4-chlorobenzenesulfonyl)acetate (CAS 15446-25-0) is a chemical compound with molecular formula C9H9ClO4S and molecular weight 247.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-chlorophenyl)sulfonylacetate
Also Known As: METHYL 2-(4-CHLOROBENZENESULFONYL)ACETATE, methyl [(4-chlorophenyl)sulfonyl]acetate, methyl 2-(4-chlorophenyl)sulfonylacetate, methyl (4-chlorophenylsulfonyl)acetate, methyl 4-chlorophenylsulfonylacetate
| Molecular Formula | C9H9ClO4S |
|---|---|
| Molecular Weight | 247.99 g/mol |
| LogP | 1.2867 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.99101 |
| Heavy Atoms | 15 |
| Complexity | 449.5056 |
Chemical Identifiers
| CAS Number | 15446-25-0 |
|---|---|
| SMILES | COC(=O)CS(=O)(=O)C1=CC=C(C=C1)Cl |
Product Overview
Methyl 2-(4-chlorobenzenesulfonyl)acetate (CAS 15446-25-0), with molecular formula C9H9ClO4S and molecular weight 247.99 g/mol. IUPAC: methyl 2-(4-chlorophenyl)sulfonylacetate.
Chemical Property Profile of Methyl 2-(4-chlorobenzenesulfonyl)acetate
Property Insights of Methyl 2-(4-chlorobenzenesulfonyl)acetate
The XLogP value of 1.2867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-chlorobenzenesulfonyl)acetate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4-chlorobenzenesulfonyl)acetate. Following Lipinski's Rule of Five, Methyl 2-(4-chlorobenzenesulfonyl)acetate has 0 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 Methyl 2-(4-chlorobenzenesulfonyl)acetate?
The CAS number of Methyl 2-(4-chlorobenzenesulfonyl)acetate is 15446-25-0.
What is the molecular formula of Methyl 2-(4-chlorobenzenesulfonyl)acetate?
The molecular formula of Methyl 2-(4-chlorobenzenesulfonyl)acetate is C9H9ClO4S.
What is the molecular weight of Methyl 2-(4-chlorobenzenesulfonyl)acetate?
The molecular weight of Methyl 2-(4-chlorobenzenesulfonyl)acetate is 247.99 g/mol.
Where can I buy Methyl 2-(4-chlorobenzenesulfonyl)acetate?
You can request a quote for Methyl 2-(4-chlorobenzenesulfonyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-chlorobenzenesulfonyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-chlorobenzenesulfonyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.