ChemDiv3_003541
TL;DR: ChemDiv3_003541 (CAS 358355-88-1) is a chemical compound with molecular formula C12H17F3N2O2 and molecular weight 278.12 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-methylpropan-1-one
Also Known As: ChemDiv3_003541, BAS 02026141, IDI1_021451, BRD-A16665785-001-01-8, 1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-methylpropan-1-one
| Molecular Formula | C12H17F3N2O2 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 2.2817 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.1242 |
| Heavy Atoms | 19 |
| Complexity | 419.68777 |
Chemical Identifiers
| CAS Number | 358355-88-1 |
|---|---|
| SMILES | CC(C)C(=O)N1C(C2CCCCC2=N1)(C(F)(F)F)O |
Product Overview
ChemDiv3_003541 (CAS 358355-88-1), with molecular formula C12H17F3N2O2 and molecular weight 278.12 g/mol. IUPAC: 1-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-methylpropan-1-one.
Chemical Property Profile of ChemDiv3_003541
Property Insights of ChemDiv3_003541
The XLogP value of 2.2817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_003541. With a topological polar surface area (TPSA) of 52.9 Ų, ChemDiv3_003541 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_003541 has 1 hydrogen bond donor(s) and 3 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 ChemDiv3_003541?
The CAS number of ChemDiv3_003541 is 358355-88-1.
What is the molecular formula of ChemDiv3_003541?
The molecular formula of ChemDiv3_003541 is C12H17F3N2O2.
What is the molecular weight of ChemDiv3_003541?
The molecular weight of ChemDiv3_003541 is 278.12 g/mol.
Where can I buy ChemDiv3_003541?
You can request a quote for ChemDiv3_003541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003541?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.