Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester
TL;DR: Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester (CAS 71042-78-9) is a chemical compound with molecular formula C12H9ClO5S2 and molecular weight 331.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3-chlorosulfonylbenzenesulfonate
Also Known As: Phenyl 3-(chlorosulfonyl)benzenesulfonate, 3- benzenesulfonicacidphenylester, Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester, phenyl 3-chlorosulfonylbenzenesulfonate, phenyl 3-(chlorosulfonyl)benzene-1-sulfonate
| Molecular Formula | C12H9ClO5S2 |
|---|---|
| Molecular Weight | 331.96 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.958 |
| Heavy Atoms | 20 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 71042-78-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)Cl |
| InChIKey | NQRLBRXJRGKEIF-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester (CAS 71042-78-9), with molecular formula C12H9ClO5S2 and molecular weight 331.96 g/mol. IUPAC: phenyl 3-chlorosulfonylbenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester
Property Insights of Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester
The XLogP value of 3.1 indicates that Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester has 0 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 Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester?
The CAS number of Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester is 71042-78-9.
What is the molecular formula of Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester?
The molecular formula of Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester is C12H9ClO5S2.
What is the molecular weight of Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester?
The molecular weight of Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester is 331.96 g/mol.
Where can I buy Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester?
You can request a quote for Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 3-(chlorosulfonyl)-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.