BAS 00436244
TL;DR: BAS 00436244 (CAS 331710-82-8) is a chemical compound with molecular formula C16H11F3N4O4 and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
Also Known As: BAS 00436244, 5-{4-nitrophenyl}-1-isonicotinoyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, [5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone
| Molecular Formula | C16H11F3N4O4 |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 2.5993 |
| Topological Polar Surface Area | 108.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.07324 |
| Heavy Atoms | 27 |
| Complexity | 915.5127 |
Chemical Identifiers
| CAS Number | 331710-82-8 |
|---|---|
| SMILES | C1C(=NN(C1(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C3=CC=NC=C3)C(F)(F)F |
Product Overview
BAS 00436244 (CAS 331710-82-8), with molecular formula C16H11F3N4O4 and molecular weight 380.07 g/mol. IUPAC: [5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of BAS 00436244
Property Insights of BAS 00436244
The XLogP value of 2.5993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00436244. The TPSA of 108.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00436244. Following Lipinski's Rule of Five, BAS 00436244 has 1 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 BAS 00436244?
The CAS number of BAS 00436244 is 331710-82-8.
What is the molecular formula of BAS 00436244?
The molecular formula of BAS 00436244 is C16H11F3N4O4.
What is the molecular weight of BAS 00436244?
The molecular weight of BAS 00436244 is 380.07 g/mol.
Where can I buy BAS 00436244?
You can request a quote for BAS 00436244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00436244?
Yes, KEHONG BIO provides custom synthesis services for BAS 00436244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.