BAS 05435845
TL;DR: BAS 05435845 (CAS 799250-70-7) is a chemical compound with molecular formula C13H12F4N2O2 and molecular weight 304.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-fluorophenyl)methanone
Also Known As: BAS 05435845, [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-fluorophenyl)methanone, (3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)(3-fluorophenyl)methanone, [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-fluorophenyl)methanone
| Molecular Formula | C13H12F4N2O2 |
|---|---|
| Molecular Weight | 304.08 g/mol |
| LogP | 2.6885 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0835 |
| Heavy Atoms | 21 |
| Complexity | 600.0792 |
Chemical Identifiers
| CAS Number | 799250-70-7 |
|---|---|
| SMILES | CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)F |
Product Overview
BAS 05435845 (CAS 799250-70-7), with molecular formula C13H12F4N2O2 and molecular weight 304.08 g/mol. IUPAC: [3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-fluorophenyl)methanone.
Chemical Property Profile of BAS 05435845
Property Insights of BAS 05435845
The XLogP value of 2.6885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05435845. With a topological polar surface area (TPSA) of 52.9 Ų, BAS 05435845 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 05435845 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 05435845?
The CAS number of BAS 05435845 is 799250-70-7.
What is the molecular formula of BAS 05435845?
The molecular formula of BAS 05435845 is C13H12F4N2O2.
What is the molecular weight of BAS 05435845?
The molecular weight of BAS 05435845 is 304.08 g/mol.
Where can I buy BAS 05435845?
You can request a quote for BAS 05435845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05435845?
Yes, KEHONG BIO provides custom synthesis services for BAS 05435845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.