3,5-Dimethylphenyl thiophene-2-sulfonate
TL;DR: 3,5-Dimethylphenyl thiophene-2-sulfonate (CAS 406475-84-1) is a chemical compound with molecular formula C12H12O3S2 and molecular weight 268.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) thiophene-2-sulfonate
Also Known As: 3,5-dimethylphenyl thiophene-2-sulfonate, (3,5-dimethylphenyl) thiophene-2-sulfonate, 3,5-dimethylphenyl 2-thiophenesulfonate, Thiophene-2-sulfonic acid 3,5-dimethyl-phenyl ester, AJ-292/40927057
| Molecular Formula | C12H12O3S2 |
|---|---|
| Molecular Weight | 268.02 g/mol |
| LogP | 3.13264 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0228 |
| Heavy Atoms | 17 |
| Complexity | 592.9552 |
Chemical Identifiers
| CAS Number | 406475-84-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CS2)C |
Product Overview
3,5-Dimethylphenyl thiophene-2-sulfonate (CAS 406475-84-1), with molecular formula C12H12O3S2 and molecular weight 268.02 g/mol. IUPAC: (3,5-dimethylphenyl) thiophene-2-sulfonate.
Chemical Property Profile of 3,5-Dimethylphenyl thiophene-2-sulfonate
Property Insights of 3,5-Dimethylphenyl thiophene-2-sulfonate
The XLogP value of 3.13264 indicates that 3,5-Dimethylphenyl thiophene-2-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 3,5-Dimethylphenyl thiophene-2-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylphenyl thiophene-2-sulfonate has 0 hydrogen bond donor(s) and 4 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 thiophene-2-sulfonate?
The CAS number of 3,5-Dimethylphenyl thiophene-2-sulfonate is 406475-84-1.
What is the molecular formula of 3,5-Dimethylphenyl thiophene-2-sulfonate?
The molecular formula of 3,5-Dimethylphenyl thiophene-2-sulfonate is C12H12O3S2.
What is the molecular weight of 3,5-Dimethylphenyl thiophene-2-sulfonate?
The molecular weight of 3,5-Dimethylphenyl thiophene-2-sulfonate is 268.02 g/mol.
Where can I buy 3,5-Dimethylphenyl thiophene-2-sulfonate?
You can request a quote for 3,5-Dimethylphenyl thiophene-2-sulfonate 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 thiophene-2-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylphenyl thiophene-2-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.