trans-Sulindac
TL;DR: trans-Sulindac (CAS 61812-46-2) 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.
2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid
Also Known As: trans-Sulindac, sulindac, Sulindac sulfoxide, Arthrocine, Algocetil
| Molecular Formula | C20H17FO3S |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 4.3655 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.08826 |
| Heavy Atoms | 25 |
| Complexity | 939.9137 |
Chemical Identifiers
| CAS Number | 61812-46-2 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O |
Product Overview
trans-Sulindac (CAS 61812-46-2), with molecular formula C20H17FO3S and molecular weight 356.09 g/mol. IUPAC: 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid.
Chemical Property Profile of trans-Sulindac
Property Insights of trans-Sulindac
The XLogP value of 4.3655 indicates that trans-Sulindac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, trans-Sulindac exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Sulindac has 1 hydrogen bond donor(s) and 2 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 trans-Sulindac?
The CAS number of trans-Sulindac is 61812-46-2.
What is the molecular formula of trans-Sulindac?
The molecular formula of trans-Sulindac is C20H17FO3S.
What is the molecular weight of trans-Sulindac?
The molecular weight of trans-Sulindac is 356.09 g/mol.
Where can I buy trans-Sulindac?
You can request a quote for trans-Sulindac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Sulindac?
Yes, KEHONG BIO provides custom synthesis services for trans-Sulindac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.