Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester
TL;DR: Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester (CAS 3971-35-5) is a chemical compound with molecular formula C22H26O6S and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(4-butoxycarbonylphenyl)sulfonylbenzoate
Also Known As: 4,dibutyl ester, 4, dibutyl ester, dibutyl 4,4'-sulfonyldibenzoate, Benzoic acid, 4,4'-sulfonylbis-, dibutyl ester, 4,4'-Sulfonylbis(benzoic acid), dibutyl ester
| Molecular Formula | C22H26O6S |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 418.14502 |
| Heavy Atoms | 29 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 3971-35-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC |
| InChIKey | DMHQQKCWHVVMKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester (CAS 3971-35-5), with molecular formula C22H26O6S and molecular weight 418.15 g/mol. IUPAC: butyl 4-(4-butoxycarbonylphenyl)sulfonylbenzoate.
Chemical Property Profile of Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester
Property Insights of Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester
The XLogP value of 6.3 indicates that Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester?
The CAS number of Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester is 3971-35-5.
What is the molecular formula of Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester?
The molecular formula of Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester is C22H26O6S.
What is the molecular weight of Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester?
The molecular weight of Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester is 418.15 g/mol.
Where can I buy Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester?
You can request a quote for Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4,4'-sulfonylbis-, 1,1'-dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.