BAS 03385863
TL;DR: BAS 03385863 (CAS 312274-76-3) is a chemical compound with molecular formula C13H12F3N3O4 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone
Also Known As: BAS 03385863, 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone, A1728/0073503, 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone, 1-({4-nitrophenyl}acetyl)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C13H12F3N3O4 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 1.9964 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.078 |
| Heavy Atoms | 23 |
| Complexity | 672.0375 |
Chemical Identifiers
| CAS Number | 312274-76-3 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
BAS 03385863 (CAS 312274-76-3), with molecular formula C13H12F3N3O4 and molecular weight 331.08 g/mol. IUPAC: 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone.
Chemical Property Profile of BAS 03385863
Property Insights of BAS 03385863
The XLogP value of 1.9964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03385863. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03385863. Following Lipinski's Rule of Five, BAS 03385863 has 1 hydrogen bond donor(s) and 5 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 03385863?
The CAS number of BAS 03385863 is 312274-76-3.
What is the molecular formula of BAS 03385863?
The molecular formula of BAS 03385863 is C13H12F3N3O4.
What is the molecular weight of BAS 03385863?
The molecular weight of BAS 03385863 is 331.08 g/mol.
Where can I buy BAS 03385863?
You can request a quote for BAS 03385863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03385863?
Yes, KEHONG BIO provides custom synthesis services for BAS 03385863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.