3,5-二甲基苯磺酸
TL;DR: 3,5-二甲基苯磺酸 (CAS 18023-22-8) is a chemical compound with molecular formula C8H10O3S and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二甲基苯磺酸
3,5-dimethylbenzenesulfonic acid
Also Known As: 3,5-dimethylbenzenesulfonic Acid, Vortioxetine Impurity 81, 3,5-dimethylbenzene-1-sulfonic acid, Benzenesulfonic acid, 3,5-dimethyl-, Benzenesulfonic acid, dimethyl-
| Molecular Formula | C8H10O3S |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.03506 |
| Heavy Atoms | 12 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 18023-22-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)S(=O)(=O)O)C |
| InChIKey | QFVYAQIVJUCNSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二甲基苯磺酸 (CAS 18023-22-8), with molecular formula C8H10O3S and molecular weight 186.04 g/mol. IUPAC: 3,5-dimethylbenzenesulfonic acid.
Chemical Property Profile of 3,5-二甲基苯磺酸
Property Insights of 3,5-二甲基苯磺酸
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二甲基苯磺酸. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-二甲基苯磺酸. Following Lipinski's Rule of Five, 3,5-二甲基苯磺酸 has 1 hydrogen bond donor(s) and 3 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 3,5-二甲基苯磺酸?
The CAS number of 3,5-二甲基苯磺酸 is 18023-22-8.
What is the molecular formula of 3,5-二甲基苯磺酸?
The molecular formula of 3,5-二甲基苯磺酸 is C8H10O3S.
What is the molecular weight of 3,5-二甲基苯磺酸?
The molecular weight of 3,5-二甲基苯磺酸 is 186.04 g/mol.
Where can I buy 3,5-二甲基苯磺酸?
You can request a quote for 3,5-二甲基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二甲基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二甲基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.