![1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one structure](/static/products/3782/378200-72-7.webp)
1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one
TL;DR: 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one (CAS 378200-72-7) is a chemical compound with molecular formula C18H21F3N2O2 and molecular weight 354.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-3-phenylpropan-1-one
Also Known As: 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one, 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-3-phenylpropan-1-one, 1-(3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl)-3-phenylpropan-1-one, 1-[3-HYDROXY-3-(TRIFLUOROMETHYL)-2H,3H,3AH,4H,5H,6H,7H,8H-CYCLOHEPTA[C]PYRAZOL-2-YL]-3-PHENYLPROPAN-1-ONE
| Molecular Formula | C18H21F3N2O2 |
|---|---|
| Molecular Weight | 354.16 g/mol |
| LogP | 3.6486 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.15552 |
| Heavy Atoms | 25 |
| Complexity | 660.0351 |
Chemical Identifiers
| CAS Number | 378200-72-7 |
|---|---|
| SMILES | C1CCC2C(=NN(C2(C(F)(F)F)O)C(=O)CCC3=CC=CC=C3)CC1 |
Product Overview
1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one (CAS 378200-72-7), with molecular formula C18H21F3N2O2 and molecular weight 354.16 g/mol. IUPAC: 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-3-phenylpropan-1-one.
Chemical Property Profile of 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one
Property Insights of 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one
The XLogP value of 3.6486 indicates that 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one 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 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one?
The CAS number of 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one is 378200-72-7.
What is the molecular formula of 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one?
The molecular formula of 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one is C18H21F3N2O2.
What is the molecular weight of 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one?
The molecular weight of 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one is 354.16 g/mol.
Where can I buy 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one?
You can request a quote for 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2(3H)-yl]-3-phenylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.