Ethyl 4-(chlorosulfonyl)benzoate
TL;DR: Ethyl 4-(chlorosulfonyl)benzoate (CAS 10486-51-8) 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.
ethyl 4-chlorosulfonylbenzoate
Also Known As: Ethyl 4-(chlorosulfonyl)benzoate, 4-Chlorosulfonyl-benzoic acid ethyl ester, Ethyl 4-chlorosulfonylbenzoate, ethyl4-chlorosulfonylbenzoate, Ethyl4-(chlorosulfonyl)benzoate
| Molecular Formula | C9H9ClO4S |
|---|---|
| Molecular Weight | 247.99 g/mol |
| LogP | 1.7908 |
| 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 | 10486-51-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl |
Product Overview
Ethyl 4-(chlorosulfonyl)benzoate (CAS 10486-51-8), with molecular formula C9H9ClO4S and molecular weight 247.99 g/mol. IUPAC: ethyl 4-chlorosulfonylbenzoate.
Chemical Property Profile of Ethyl 4-(chlorosulfonyl)benzoate
Property Insights of Ethyl 4-(chlorosulfonyl)benzoate
The XLogP value of 1.7908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(chlorosulfonyl)benzoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(chlorosulfonyl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(chlorosulfonyl)benzoate 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 Ethyl 4-(chlorosulfonyl)benzoate?
The CAS number of Ethyl 4-(chlorosulfonyl)benzoate is 10486-51-8.
What is the molecular formula of Ethyl 4-(chlorosulfonyl)benzoate?
The molecular formula of Ethyl 4-(chlorosulfonyl)benzoate is C9H9ClO4S.
What is the molecular weight of Ethyl 4-(chlorosulfonyl)benzoate?
The molecular weight of Ethyl 4-(chlorosulfonyl)benzoate is 247.99 g/mol.
Where can I buy Ethyl 4-(chlorosulfonyl)benzoate?
You can request a quote for Ethyl 4-(chlorosulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(chlorosulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(chlorosulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.