ChemDiv1_024173
TL;DR: ChemDiv1_024173 (CAS 376602-25-4) is a chemical compound with molecular formula C16H17F3N2O3 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-phenoxyethanone
Also Known As: ChemDiv1_024173, BAS 03386029, 1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-phenoxyethanone, 1-[3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-phenoxyethanone, 1-(3-hydroxy-3-(trifluoromethyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl)-2-phenoxyethanone
| Molecular Formula | C16H17F3N2O3 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.7047 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.11914 |
| Heavy Atoms | 24 |
| Complexity | 647.7178 |
Chemical Identifiers
| CAS Number | 376602-25-4 |
|---|---|
| SMILES | C1CCC2=NN(C(C2C1)(C(F)(F)F)O)C(=O)COC3=CC=CC=C3 |
Product Overview
ChemDiv1_024173 (CAS 376602-25-4), with molecular formula C16H17F3N2O3 and molecular weight 342.12 g/mol. IUPAC: 1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-phenoxyethanone.
Chemical Property Profile of ChemDiv1_024173
Property Insights of ChemDiv1_024173
The XLogP value of 2.7047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_024173. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024173. Following Lipinski's Rule of Five, ChemDiv1_024173 has 1 hydrogen bond donor(s) and 4 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_024173?
The CAS number of ChemDiv1_024173 is 376602-25-4.
What is the molecular formula of ChemDiv1_024173?
The molecular formula of ChemDiv1_024173 is C16H17F3N2O3.
What is the molecular weight of ChemDiv1_024173?
The molecular weight of ChemDiv1_024173 is 342.12 g/mol.
Where can I buy ChemDiv1_024173?
You can request a quote for ChemDiv1_024173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024173?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.