ChemDiv1_010734
TL;DR: ChemDiv1_010734 (CAS 328012-19-7) is a chemical compound with molecular formula C16H18F3N3O4 and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone
Also Known As: ChemDiv1_010734, 3-(3-methylbutyl)-1-(4-nitrobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, A0903/0042433, [5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone, 1-{4-nitrobenzoyl}-3-isopentyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
| Molecular Formula | C16H18F3N3O4 |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 3.4838 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.12494 |
| Heavy Atoms | 26 |
| Complexity | 731.2507 |
Chemical Identifiers
| CAS Number | 328012-19-7 |
|---|---|
| SMILES | CC(C)CCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
ChemDiv1_010734 (CAS 328012-19-7), with molecular formula C16H18F3N3O4 and molecular weight 373.12 g/mol. IUPAC: [5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone.
Chemical Property Profile of ChemDiv1_010734
Property Insights of ChemDiv1_010734
The XLogP value of 3.4838 indicates that ChemDiv1_010734 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010734. Following Lipinski's Rule of Five, ChemDiv1_010734 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 ChemDiv1_010734?
The CAS number of ChemDiv1_010734 is 328012-19-7.
What is the molecular formula of ChemDiv1_010734?
The molecular formula of ChemDiv1_010734 is C16H18F3N3O4.
What is the molecular weight of ChemDiv1_010734?
The molecular weight of ChemDiv1_010734 is 373.12 g/mol.
Where can I buy ChemDiv1_010734?
You can request a quote for ChemDiv1_010734 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010734?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010734 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.