4-Chlorophenyl 4-methoxybenzenesulfonate
TL;DR: 4-Chlorophenyl 4-methoxybenzenesulfonate (CAS 37100-90-6) is a chemical compound with molecular formula C13H11ClO4S and molecular weight 298.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 4-methoxybenzenesulfonate
Also Known As: 4-chlorophenyl 4-methoxybenzenesulfonate, (4-chlorophenyl) 4-methoxybenzenesulfonate, 4-Chlorophenyl 4-methoxybenzene-1-sulfonate, 1-chloro-4-(4-methoxyphenyl)sulfonyloxy-benzene, AN-698/40847789
| Molecular Formula | C13H11ClO4S |
|---|---|
| Molecular Weight | 298.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.00665 |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 37100-90-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)Cl |
| InChIKey | YOUWVYJESWPNDC-UHFFFAOYSA-N |
Product Overview
4-Chlorophenyl 4-methoxybenzenesulfonate (CAS 37100-90-6), with molecular formula C13H11ClO4S and molecular weight 298.01 g/mol. IUPAC: (4-chlorophenyl) 4-methoxybenzenesulfonate.
Chemical Property Profile of 4-Chlorophenyl 4-methoxybenzenesulfonate
Property Insights of 4-Chlorophenyl 4-methoxybenzenesulfonate
The XLogP value of 3.7 indicates that 4-Chlorophenyl 4-methoxybenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorophenyl 4-methoxybenzenesulfonate. Following Lipinski's Rule of Five, 4-Chlorophenyl 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 4-Chlorophenyl 4-methoxybenzenesulfonate?
The CAS number of 4-Chlorophenyl 4-methoxybenzenesulfonate is 37100-90-6.
What is the molecular formula of 4-Chlorophenyl 4-methoxybenzenesulfonate?
The molecular formula of 4-Chlorophenyl 4-methoxybenzenesulfonate is C13H11ClO4S.
What is the molecular weight of 4-Chlorophenyl 4-methoxybenzenesulfonate?
The molecular weight of 4-Chlorophenyl 4-methoxybenzenesulfonate is 298.01 g/mol.
Where can I buy 4-Chlorophenyl 4-methoxybenzenesulfonate?
You can request a quote for 4-Chlorophenyl 4-methoxybenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 4-methoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 4-methoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.