Sulisobenzone
TL;DR: Sulisobenzone (CAS 4065-45-6) is a chemical compound with molecular formula C14H12O6S and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
Also Known As: Sulisobenzone, Sungard, Uval, Benzophenone 4, Sulisobenzona
| Molecular Formula | C14H12O6S |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.03546 |
| Heavy Atoms | 21 |
| Complexity | 462.0 |
| Melting Point | 145 |
| Solubility | 10 |
Chemical Identifiers
| CAS Number | 4065-45-6 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O |
| InChIKey | CXVGEDCSTKKODG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulisobenzone (CAS 4065-45-6), with molecular formula C14H12O6S and molecular weight 308.04 g/mol. IUPAC: 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid.
Chemical Property Profile of Sulisobenzone
Property Insights of Sulisobenzone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulisobenzone. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulisobenzone. Following Lipinski's Rule of Five, Sulisobenzone has 2 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 Sulisobenzone?
The CAS number of Sulisobenzone is 4065-45-6.
What is the molecular formula of Sulisobenzone?
The molecular formula of Sulisobenzone is C14H12O6S.
What is the molecular weight of Sulisobenzone?
The molecular weight of Sulisobenzone is 308.04 g/mol.
Where can I buy Sulisobenzone?
You can request a quote for Sulisobenzone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulisobenzone?
Yes, KEHONG BIO provides custom synthesis services for Sulisobenzone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.