ChemDiv1_024217
TL;DR: ChemDiv1_024217 (CAS 376602-95-8) is a chemical compound with molecular formula C15H14F3N3O4 and molecular weight 357.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3-nitrophenyl)methanone
Also Known As: ChemDiv1_024217, [3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3-nitrophenyl)methanone, [3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](3-nitrophenyl)methanone, 2-(3-nitrobenzoyl)-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-3-ol, (3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)(3-nitrophenyl)methanone
| Molecular Formula | C15H14F3N3O4 |
|---|---|
| Molecular Weight | 357.09 g/mol |
| LogP | 2.8477 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 357.09363 |
| Heavy Atoms | 25 |
| Complexity | 764.6336 |
Chemical Identifiers
| CAS Number | 376602-95-8 |
|---|---|
| SMILES | C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
ChemDiv1_024217 (CAS 376602-95-8), with molecular formula C15H14F3N3O4 and molecular weight 357.09 g/mol. IUPAC: [3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3-nitrophenyl)methanone.
Chemical Property Profile of ChemDiv1_024217
Property Insights of ChemDiv1_024217
The XLogP value of 2.8477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_024217. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024217. Following Lipinski's Rule of Five, ChemDiv1_024217 has 1 hydrogen bond donor(s) and 5 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_024217?
The CAS number of ChemDiv1_024217 is 376602-95-8.
What is the molecular formula of ChemDiv1_024217?
The molecular formula of ChemDiv1_024217 is C15H14F3N3O4.
What is the molecular weight of ChemDiv1_024217?
The molecular weight of ChemDiv1_024217 is 357.09 g/mol.
Where can I buy ChemDiv1_024217?
You can request a quote for ChemDiv1_024217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024217?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.