BAS 03385838
TL;DR: BAS 03385838 (CAS 263699-76-9) is a chemical compound with molecular formula C13H13F3N2O2 and molecular weight 286.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone
Also Known As: BAS 03385838, [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone, [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methylphenyl)methanone, 5-hydroxy-3-methyl-5-(trifluoromethyl)(2-pyrazolinyl) 3-methylphenyl ketone, (5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)(m-tolyl)methanone
| Molecular Formula | C13H13F3N2O2 |
|---|---|
| Molecular Weight | 286.09 g/mol |
| LogP | 2.46772 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.09293 |
| Heavy Atoms | 20 |
| Complexity | 583.2242 |
Chemical Identifiers
| CAS Number | 263699-76-9 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC(=C2)C |
Product Overview
BAS 03385838 (CAS 263699-76-9), with molecular formula C13H13F3N2O2 and molecular weight 286.09 g/mol. IUPAC: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methylphenyl)methanone.
Chemical Property Profile of BAS 03385838
Property Insights of BAS 03385838
The XLogP value of 2.46772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03385838. With a topological polar surface area (TPSA) of 52.9 Ų, BAS 03385838 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03385838 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 03385838?
The CAS number of BAS 03385838 is 263699-76-9.
What is the molecular formula of BAS 03385838?
The molecular formula of BAS 03385838 is C13H13F3N2O2.
What is the molecular weight of BAS 03385838?
The molecular weight of BAS 03385838 is 286.09 g/mol.
Where can I buy BAS 03385838?
You can request a quote for BAS 03385838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03385838?
Yes, KEHONG BIO provides custom synthesis services for BAS 03385838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.