2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate
TL;DR: 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate (CAS 865611-71-8) is a chemical compound with molecular formula C15H15ClO4S and molecular weight 326.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl) 2-methoxy-4,5-dimethylbenzenesulfonate
Also Known As: 2-chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate, (2-chlorophenyl) 2-methoxy-4,5-dimethylbenzenesulfonate, 2-chlorophenyl 2-methoxy-4,5-dimethylbenzene-1-sulfonate, F1478-0218, AP-263/42173288
| Molecular Formula | C15H15ClO4S |
|---|---|
| Molecular Weight | 326.04 g/mol |
| LogP | 3.73314 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.03796 |
| Heavy Atoms | 21 |
| Complexity | 769.2382 |
Chemical Identifiers
| CAS Number | 865611-71-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)S(=O)(=O)OC2=CC=CC=C2Cl)OC |
Product Overview
2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate (CAS 865611-71-8), with molecular formula C15H15ClO4S and molecular weight 326.04 g/mol. IUPAC: (2-chlorophenyl) 2-methoxy-4,5-dimethylbenzenesulfonate.
Chemical Property Profile of 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate
Property Insights of 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate
The XLogP value of 3.73314 indicates that 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate 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 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate?
The CAS number of 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate is 865611-71-8.
What is the molecular formula of 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate?
The molecular formula of 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate is C15H15ClO4S.
What is the molecular weight of 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate?
The molecular weight of 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate is 326.04 g/mol.
Where can I buy 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate?
You can request a quote for 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenyl 2-methoxy-4,5-dimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.