4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate
TL;DR: 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate (CAS 298218-20-9) is a chemical compound with molecular formula C17H18O5S3 and molecular weight 398.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-dithiolan-2-yl)phenyl] 2,5-dimethoxybenzenesulfonate
Also Known As: 4-(1,3-dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate, [4-(1,3-dithiolan-2-yl)phenyl] 2,5-dimethoxybenzenesulfonate, AA-768/08917006, 4-(1,3-dithiolan-2-yl)phenyl 2,5-dimethoxybenzene-1-sulfonate, 4-(1,3-dithiolan-2-yl)phenyl2,5-dimethoxybenzene-1-sulfonate
| Molecular Formula | C17H18O5S3 |
|---|---|
| Molecular Weight | 398.03 g/mol |
| LogP | 3.9501 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.03165 |
| Heavy Atoms | 25 |
| Complexity | 827.8619 |
Chemical Identifiers
| CAS Number | 298218-20-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)S(=O)(=O)OC2=CC=C(C=C2)C3SCCS3 |
Product Overview
4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate (CAS 298218-20-9), with molecular formula C17H18O5S3 and molecular weight 398.03 g/mol. IUPAC: [4-(1,3-dithiolan-2-yl)phenyl] 2,5-dimethoxybenzenesulfonate.
Chemical Property Profile of 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate
Property Insights of 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate
The XLogP value of 3.9501 indicates that 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate. Following Lipinski's Rule of Five, 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate has 0 hydrogen bond donor(s) and 7 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-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate?
The CAS number of 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate is 298218-20-9.
What is the molecular formula of 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate?
The molecular formula of 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate is C17H18O5S3.
What is the molecular weight of 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate?
The molecular weight of 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate is 398.03 g/mol.
Where can I buy 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate?
You can request a quote for 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dithiolan-2-yl)phenyl 2,5-dimethoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.