Dimethyl 4,4'-sulphonyldibenzoate
TL;DR: Dimethyl 4,4'-sulphonyldibenzoate (CAS 3965-53-5) is a chemical compound with molecular formula C16H14O6S and molecular weight 334.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate
Also Known As: Dimethyl 4,4'-sulphonyldibenzoate, Dimethyl 4,4'-sulfonyldibenzoate, 4,4'-Sulfonylbis(methyl benzoate), methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate, Dimethyl 4,4'sulphonyldibenzoate
| Molecular Formula | C16H14O6S |
|---|---|
| Molecular Weight | 334.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.05112 |
| Heavy Atoms | 23 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 3965-53-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC |
| InChIKey | YQYRQRUZQNRJIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 4,4'-sulphonyldibenzoate (CAS 3965-53-5), with molecular formula C16H14O6S and molecular weight 334.05 g/mol. IUPAC: methyl 4-(4-methoxycarbonylphenyl)sulfonylbenzoate.
Chemical Property Profile of Dimethyl 4,4'-sulphonyldibenzoate
Property Insights of Dimethyl 4,4'-sulphonyldibenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4,4'-sulphonyldibenzoate. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4,4'-sulphonyldibenzoate. Following Lipinski's Rule of Five, Dimethyl 4,4'-sulphonyldibenzoate has 0 hydrogen bond donor(s) and 6 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 Dimethyl 4,4'-sulphonyldibenzoate?
The CAS number of Dimethyl 4,4'-sulphonyldibenzoate is 3965-53-5.
What is the molecular formula of Dimethyl 4,4'-sulphonyldibenzoate?
The molecular formula of Dimethyl 4,4'-sulphonyldibenzoate is C16H14O6S.
What is the molecular weight of Dimethyl 4,4'-sulphonyldibenzoate?
The molecular weight of Dimethyl 4,4'-sulphonyldibenzoate is 334.05 g/mol.
Where can I buy Dimethyl 4,4'-sulphonyldibenzoate?
You can request a quote for Dimethyl 4,4'-sulphonyldibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4,4'-sulphonyldibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4,4'-sulphonyldibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.