Sulindac sulfone
TL;DR: Sulindac sulfone (CAS 59864-04-9) is a chemical compound with molecular formula C20H17FO4S and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
Also Known As: Sulindac sulfone, Exisulind, Aptosyn; Exisulind, Aptosyn, 2-[6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
| Molecular Formula | C20H17FO4S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.08316 |
| Heavy Atoms | 26 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 59864-04-9 |
|---|---|
| SMILES | CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O |
| InChIKey | MVGSNCBCUWPVDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulindac sulfone (CAS 59864-04-9), with molecular formula C20H17FO4S and molecular weight 372.08 g/mol. IUPAC: 2-[6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid.
Chemical Property Profile of Sulindac sulfone
Property Insights of Sulindac sulfone
The XLogP value of 3.5 indicates that Sulindac sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulindac sulfone. Following Lipinski's Rule of Five, Sulindac sulfone has 1 hydrogen bond donor(s) and 5 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 Sulindac sulfone?
The CAS number of Sulindac sulfone is 59864-04-9.
What is the molecular formula of Sulindac sulfone?
The molecular formula of Sulindac sulfone is C20H17FO4S.
What is the molecular weight of Sulindac sulfone?
The molecular weight of Sulindac sulfone is 372.08 g/mol.
Where can I buy Sulindac sulfone?
You can request a quote for Sulindac sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulindac sulfone?
Yes, KEHONG BIO provides custom synthesis services for Sulindac sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.