3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate
TL;DR: 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate (CAS 693254-43-2) is a chemical compound with molecular formula C15H14Cl2O4S and molecular weight 360.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) 2,5-dichloro-4-methoxybenzenesulfonate
Also Known As: 3,5-dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate, (3,5-dimethylphenyl) 2,5-dichloro-4-methoxybenzenesulfonate
| Molecular Formula | C15H14Cl2O4S |
|---|---|
| Molecular Weight | 360.00 g/mol |
| LogP | 4.38654 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.999 |
| Heavy Atoms | 22 |
| Complexity | 796.2824 |
Chemical Identifiers
| CAS Number | 693254-43-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OS(=O)(=O)C2=C(C=C(C(=C2)Cl)OC)Cl)C |
Product Overview
3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate (CAS 693254-43-2), with molecular formula C15H14Cl2O4S and molecular weight 360.00 g/mol. IUPAC: (3,5-dimethylphenyl) 2,5-dichloro-4-methoxybenzenesulfonate.
Chemical Property Profile of 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate
Property Insights of 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate
The XLogP value of 4.38654 indicates that 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate 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 2,5-dichloro-4-methoxybenzenesulfonate?
The CAS number of 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate is 693254-43-2.
What is the molecular formula of 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate?
The molecular formula of 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate is C15H14Cl2O4S.
What is the molecular weight of 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate?
The molecular weight of 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate is 360.00 g/mol.
Where can I buy 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate?
You can request a quote for 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate 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 2,5-dichloro-4-methoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylphenyl 2,5-dichloro-4-methoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.