Celecoxib N-des(benzenesulfonamide)
TL;DR: Celecoxib N-des(benzenesulfonamide) (CAS 884494-57-9) is a chemical compound with molecular formula C11H9F3N2 and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
Also Known As: null, 3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole, Celecoxib Impurity 11, Celecoxib impurity 3, 3-(p-Tolyl)-5-(trifluoromethyl)-1H-pyrazole
| Molecular Formula | C11H9F3N2 |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 3.40392 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.07178 |
| Heavy Atoms | 16 |
| Complexity | 482.67593 |
Chemical Identifiers
| CAS Number | 884494-57-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC(=C2)C(F)(F)F |
Product Overview
Celecoxib N-des(benzenesulfonamide) (CAS 884494-57-9), with molecular formula C11H9F3N2 and molecular weight 226.07 g/mol. IUPAC: 3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole.
Chemical Property Profile of Celecoxib N-des(benzenesulfonamide)
Property Insights of Celecoxib N-des(benzenesulfonamide)
The XLogP value of 3.40392 indicates that Celecoxib N-des(benzenesulfonamide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, Celecoxib N-des(benzenesulfonamide) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Celecoxib N-des(benzenesulfonamide) has 1 hydrogen bond donor(s) and 1 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 Celecoxib N-des(benzenesulfonamide)?
The CAS number of Celecoxib N-des(benzenesulfonamide) is 884494-57-9.
What is the molecular formula of Celecoxib N-des(benzenesulfonamide)?
The molecular formula of Celecoxib N-des(benzenesulfonamide) is C11H9F3N2.
What is the molecular weight of Celecoxib N-des(benzenesulfonamide)?
The molecular weight of Celecoxib N-des(benzenesulfonamide) is 226.07 g/mol.
Where can I buy Celecoxib N-des(benzenesulfonamide)?
You can request a quote for Celecoxib N-des(benzenesulfonamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Celecoxib N-des(benzenesulfonamide)?
Yes, KEHONG BIO provides custom synthesis services for Celecoxib N-des(benzenesulfonamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.