Phenyl 3-sulfolanesulfonate
TL;DR: Phenyl 3-sulfolanesulfonate (CAS 17153-56-9) is a chemical compound with molecular formula C10H12O5S2 and molecular weight 276.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 1,1-dioxothiolane-3-sulfonate
Also Known As: phenyl 1,1-dioxo-1, phenyl 1,1-dioxothiolane-3-sulfonate, Phenyl 3-sulfolanesulfonate, 1-Nitro-1,3'-sulfolanylpropane, phenyl tetrahydrothiophene-3-sulfonate 1,1-dioxide
| Molecular Formula | C10H12O5S2 |
|---|---|
| Molecular Weight | 276.01 g/mol |
| LogP | 0.5823 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.0126 |
| Heavy Atoms | 17 |
| Complexity | 588.84326 |
Chemical Identifiers
| CAS Number | 17153-56-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1S(=O)(=O)OC2=CC=CC=C2 |
Product Overview
Phenyl 3-sulfolanesulfonate (CAS 17153-56-9), with molecular formula C10H12O5S2 and molecular weight 276.01 g/mol. IUPAC: phenyl 1,1-dioxothiolane-3-sulfonate.
Chemical Property Profile of Phenyl 3-sulfolanesulfonate
Property Insights of Phenyl 3-sulfolanesulfonate
The XLogP value of 0.5823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 3-sulfolanesulfonate. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 3-sulfolanesulfonate. Following Lipinski's Rule of Five, Phenyl 3-sulfolanesulfonate 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 Phenyl 3-sulfolanesulfonate?
The CAS number of Phenyl 3-sulfolanesulfonate is 17153-56-9.
What is the molecular formula of Phenyl 3-sulfolanesulfonate?
The molecular formula of Phenyl 3-sulfolanesulfonate is C10H12O5S2.
What is the molecular weight of Phenyl 3-sulfolanesulfonate?
The molecular weight of Phenyl 3-sulfolanesulfonate is 276.01 g/mol.
Where can I buy Phenyl 3-sulfolanesulfonate?
You can request a quote for Phenyl 3-sulfolanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 3-sulfolanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 3-sulfolanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.