ChemDiv1_010920
TL;DR: ChemDiv1_010920 (CAS 296771-54-5) is a chemical compound with molecular formula C16H11ClF3N3O2 and molecular weight 369.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
Also Known As: ChemDiv1_010920, BAS 00687629, (4-chlorophenyl)-[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone, A1206/0055548, 1-(4-Chlorobenzoyl)-5-(4-pyridinyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C16H11ClF3N3O2 |
|---|---|
| Molecular Weight | 369.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 369.0492 |
| Heavy Atoms | 25 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 296771-54-5 |
|---|---|
| SMILES | C1C(=NN(C1(C2=CC=NC=C2)O)C(=O)C3=CC=C(C=C3)Cl)C(F)(F)F |
| InChIKey | JZPKGXPGZHMDLF-UHFFFAOYSA-N |
Product Overview
ChemDiv1_010920 (CAS 296771-54-5), with molecular formula C16H11ClF3N3O2 and molecular weight 369.05 g/mol. IUPAC: (4-chlorophenyl)-[5-hydroxy-5-pyridin-4-yl-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
Chemical Property Profile of ChemDiv1_010920
Property Insights of ChemDiv1_010920
The XLogP value of 3.2 indicates that ChemDiv1_010920 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010920. Following Lipinski's Rule of Five, ChemDiv1_010920 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_010920?
The CAS number of ChemDiv1_010920 is 296771-54-5.
What is the molecular formula of ChemDiv1_010920?
The molecular formula of ChemDiv1_010920 is C16H11ClF3N3O2.
What is the molecular weight of ChemDiv1_010920?
The molecular weight of ChemDiv1_010920 is 369.05 g/mol.
Where can I buy ChemDiv1_010920?
You can request a quote for ChemDiv1_010920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010920?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.