3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate
TL;DR: 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate (CAS 433688-69-8) is a chemical compound with molecular formula C16H18O5S and molecular weight 322.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) 3,4-dimethoxybenzenesulfonate
Also Known As: 3,5-dimethylphenyl 3,4-dimethoxybenzenesulfonate, (3,5-dimethylphenyl) 3,4-dimethoxybenzenesulfonate, AP-263/40917950
| Molecular Formula | C16H18O5S |
|---|---|
| Molecular Weight | 322.09 g/mol |
| LogP | 3.08834 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.0875 |
| Heavy Atoms | 22 |
| Complexity | 760.86835 |
Chemical Identifiers
| CAS Number | 433688-69-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC(=C(C=C2)OC)OC)C |
Product Overview
3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate (CAS 433688-69-8), with molecular formula C16H18O5S and molecular weight 322.09 g/mol. IUPAC: (3,5-dimethylphenyl) 3,4-dimethoxybenzenesulfonate.
Chemical Property Profile of 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate
Property Insights of 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate
The XLogP value of 3.08834 indicates that 3,5-Dimethylphenyl 3,4-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 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate. Following Lipinski's Rule of Five, 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate 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 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate?
The CAS number of 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate is 433688-69-8.
What is the molecular formula of 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate?
The molecular formula of 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate is C16H18O5S.
What is the molecular weight of 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate?
The molecular weight of 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate is 322.09 g/mol.
Where can I buy 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate?
You can request a quote for 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylphenyl 3,4-dimethoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.