Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI)
TL;DR: Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI) (CAS 647824-27-9) is a chemical compound with molecular formula C18H20O4S and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formylphenyl) 2,3,4,5,6-pentamethylbenzenesulfonate
Also Known As: 4-Formylphenyl pentamethylbenzenesulfonate, 4-formylphenyl 2,3,4,5,6-pentamethylbenzenesulfonate, (4-formylphenyl) 2,3,4,5,6-pentamethylbenzenesulfonate, 4-formylphenyl 2,3,4,5,6-pentamethylbenzenesulphonate, Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI)
| Molecular Formula | C18H20O4S |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 3.8089 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.10822 |
| Heavy Atoms | 23 |
| Complexity | 833.88 |
Chemical Identifiers
| CAS Number | 647824-27-9 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)S(=O)(=O)OC2=CC=C(C=C2)C=O)C)C |
Product Overview
Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI) (CAS 647824-27-9), with molecular formula C18H20O4S and molecular weight 332.11 g/mol. IUPAC: (4-formylphenyl) 2,3,4,5,6-pentamethylbenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI)
Property Insights of Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI)
The XLogP value of 3.8089 indicates that Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI). Following Lipinski's Rule of Five, Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI) 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 Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI)?
The CAS number of Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI) is 647824-27-9.
What is the molecular formula of Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI)?
The molecular formula of Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI) is C18H20O4S.
What is the molecular weight of Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI)?
The molecular weight of Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI) is 332.11 g/mol.
Where can I buy Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI)?
You can request a quote for Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, pentamethyl-, 4-formylphenyl ester (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.