3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate
TL;DR: 3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate (CAS 693231-84-4) is a chemical compound with molecular formula C17H20O3S and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) 2,4,5-trimethylbenzenesulfonate
Also Known As: 3,5-dimethylphenyl 2,4,5-trimethylbenzenesulfonate, (3,5-dimethylphenyl) 2,4,5-trimethylbenzenesulfonate
| Molecular Formula | C17H20O3S |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 3.9964 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.1133 |
| Heavy Atoms | 21 |
| Complexity | 769.6728 |
Chemical Identifiers
| CAS Number | 693231-84-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OS(=O)(=O)C2=C(C=C(C(=C2)C)C)C)C |
Product Overview
3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate (CAS 693231-84-4), with molecular formula C17H20O3S and molecular weight 304.11 g/mol. IUPAC: (3,5-dimethylphenyl) 2,4,5-trimethylbenzenesulfonate.
Chemical Property Profile of 3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate
Property Insights of 3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate
The XLogP value of 3.9964 indicates that 3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate 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 2,4,5-trimethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate has 0 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-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate?
The CAS number of 3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate is 693231-84-4.
What is the molecular formula of 3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate?
The molecular formula of 3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate is C17H20O3S.
What is the molecular weight of 3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate?
The molecular weight of 3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate is 304.11 g/mol.
Where can I buy 3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate?
You can request a quote for 3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate 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 2,4,5-trimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylphenyl 2,4,5-trimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.