Nitrosulindac
TL;DR: Nitrosulindac (CAS 326850-47-9) is a chemical compound with molecular formula C24H24FNO6S and molecular weight 473.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitrooxybutyl 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetate
Also Known As: nitrosulindac, NO-Releasing Sulindac, NCX 1102, (1Z)-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic Acid, 4-(Nitrooxy)butyl Ester, 4-(nitrooxy)butyl {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetate
| Molecular Formula | C24H24FNO6S |
|---|---|
| Molecular Weight | 473.13 g/mol |
| LogP | 4.8126 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 473.13083 |
| Heavy Atoms | 33 |
| Complexity | 1140.1434 |
Chemical Identifiers
| CAS Number | 326850-47-9 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)OCCCCO[N+](=O)[O-] |
Product Overview
Nitrosulindac (CAS 326850-47-9), with molecular formula C24H24FNO6S and molecular weight 473.13 g/mol. IUPAC: 4-nitrooxybutyl 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetate.
Chemical Property Profile of Nitrosulindac
Property Insights of Nitrosulindac
The XLogP value of 4.8126 indicates that Nitrosulindac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrosulindac. Following Lipinski's Rule of Five, Nitrosulindac has 0 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 Nitrosulindac?
The CAS number of Nitrosulindac is 326850-47-9.
What is the molecular formula of Nitrosulindac?
The molecular formula of Nitrosulindac is C24H24FNO6S.
What is the molecular weight of Nitrosulindac?
The molecular weight of Nitrosulindac is 473.13 g/mol.
Where can I buy Nitrosulindac?
You can request a quote for Nitrosulindac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrosulindac?
Yes, KEHONG BIO provides custom synthesis services for Nitrosulindac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.