BAS 03386098
TL;DR: BAS 03386098 (CAS 331834-97-0) is a chemical compound with molecular formula C15H17F3N2O2 and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenylpropan-1-one
Also Known As: BAS 03386098, 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-3-phenylpropan-1-one, 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenylpropan-1-one, 1-(3-Ethyl-5-hydroxy-5-trifluoromethyl-4,5-dihydro-pyrazol-1-yl)-3-phenyl-propan-1-one, 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)(2-pyrazolinyl)]-3-phenylpropan-1-one
| Molecular Formula | C15H17F3N2O2 |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 2.8684 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.1242 |
| Heavy Atoms | 22 |
| Complexity | 571.9003 |
Chemical Identifiers
| CAS Number | 331834-97-0 |
|---|---|
| SMILES | CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CCC2=CC=CC=C2 |
Product Overview
BAS 03386098 (CAS 331834-97-0), with molecular formula C15H17F3N2O2 and molecular weight 314.12 g/mol. IUPAC: 1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-3-phenylpropan-1-one.
Chemical Property Profile of BAS 03386098
Property Insights of BAS 03386098
The XLogP value of 2.8684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03386098. With a topological polar surface area (TPSA) of 52.9 Ų, BAS 03386098 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03386098 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 BAS 03386098?
The CAS number of BAS 03386098 is 331834-97-0.
What is the molecular formula of BAS 03386098?
The molecular formula of BAS 03386098 is C15H17F3N2O2.
What is the molecular weight of BAS 03386098?
The molecular weight of BAS 03386098 is 314.12 g/mol.
Where can I buy BAS 03386098?
You can request a quote for BAS 03386098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03386098?
Yes, KEHONG BIO provides custom synthesis services for BAS 03386098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.