舒林酸
TL;DR: 舒林酸 (CAS 38194-50-2) is a chemical compound with molecular formula C20H17FO3S and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
舒林酸
2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid
Also Known As: sulindac, Aflodac, Clinoril, Sulreuma, Sulindac sulfoxide
| Molecular Formula | C20H17FO3S |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.08826 |
| Heavy Atoms | 25 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 38194-50-2 |
|---|---|
| SMILES | CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O |
| InChIKey | MLKXDPUZXIRXEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
舒林酸 (CAS 38194-50-2), with molecular formula C20H17FO3S and molecular weight 356.09 g/mol. IUPAC: 2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid.
Chemical Property Profile of 舒林酸
Property Insights of 舒林酸
The XLogP value of 3.4 indicates that 舒林酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 舒林酸. Following Lipinski's Rule of Five, 舒林酸 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 舒林酸?
The CAS number of 舒林酸 is 38194-50-2.
What is the molecular formula of 舒林酸?
The molecular formula of 舒林酸 is C20H17FO3S.
What is the molecular weight of 舒林酸?
The molecular weight of 舒林酸 is 356.09 g/mol.
Where can I buy 舒林酸?
You can request a quote for 舒林酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 舒林酸?
Yes, KEHONG BIO provides custom synthesis services for 舒林酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.