Sulindac Methyl Ester
TL;DR: Sulindac Methyl Ester (CAS 134439-52-4) is a chemical compound with molecular formula C21H19FO3S and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetate
Also Known As: Sulindac Methyl Ester, Sulindac Impurity 5, Sulindac methyl derivative, J2.427.148J, (Z)-methyl 2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetate
| Molecular Formula | C21H19FO3S |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 4.4539 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.10388 |
| Heavy Atoms | 26 |
| Complexity | 955.7215 |
Chemical Identifiers
| CAS Number | 134439-52-4 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)OC |
Product Overview
Sulindac Methyl Ester (CAS 134439-52-4), with molecular formula C21H19FO3S and molecular weight 370.10 g/mol. IUPAC: methyl 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetate.
Chemical Property Profile of Sulindac Methyl Ester
Property Insights of Sulindac Methyl Ester
The XLogP value of 4.4539 indicates that Sulindac Methyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Sulindac Methyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulindac Methyl Ester has 0 hydrogen bond donor(s) and 3 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 Methyl Ester?
The CAS number of Sulindac Methyl Ester is 134439-52-4.
What is the molecular formula of Sulindac Methyl Ester?
The molecular formula of Sulindac Methyl Ester is C21H19FO3S.
What is the molecular weight of Sulindac Methyl Ester?
The molecular weight of Sulindac Methyl Ester is 370.10 g/mol.
Where can I buy Sulindac Methyl Ester?
You can request a quote for Sulindac Methyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulindac Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Sulindac Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.