4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate
TL;DR: 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate (CAS 40481-02-5) is a chemical compound with molecular formula C10H11ClO5S2 and molecular weight 309.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-1,1-dioxothiolan-3-yl) benzenesulfonate
Also Known As: 4-chloro-1,1-dioxo-1, (4-chloro-1,1-dioxothiolan-3-yl) benzenesulfonate, 4-chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate, 4-chloro-1,1-dioxidotetrahydro-3-thienyl benzenesulfonate, 4-chloro-1,1-dioxidotetrahydrothiophen-3-yl benzenesulfonate
| Molecular Formula | C10H11ClO5S2 |
|---|---|
| Molecular Weight | 309.97 g/mol |
| LogP | 0.7963 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.97363 |
| Heavy Atoms | 18 |
| Complexity | 623.4917 |
Chemical Identifiers
| CAS Number | 40481-02-5 |
|---|---|
| SMILES | C1C(C(CS1(=O)=O)Cl)OS(=O)(=O)C2=CC=CC=C2 |
Product Overview
4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate (CAS 40481-02-5), with molecular formula C10H11ClO5S2 and molecular weight 309.97 g/mol. IUPAC: (4-chloro-1,1-dioxothiolan-3-yl) benzenesulfonate.
Chemical Property Profile of 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate
Property Insights of 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate
The XLogP value of 0.7963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate. Following Lipinski's Rule of Five, 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate 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 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate?
The CAS number of 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate is 40481-02-5.
What is the molecular formula of 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate?
The molecular formula of 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate is C10H11ClO5S2.
What is the molecular weight of 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate?
The molecular weight of 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate is 309.97 g/mol.
Where can I buy 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate?
You can request a quote for 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-hydroxy-1-oxothiolan-3-yl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.