AB00122102-01
TL;DR: AB00122102-01 (CAS 357441-79-3) 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.
1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone
Also Known As: AB00122102-01, 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone, 1-(3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-(4-nitrophenyl)ethanone, 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone
| Molecular Formula | C16H18F3N3O4 |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 3.1667 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.12494 |
| Heavy Atoms | 26 |
| Complexity | 718.4453 |
Chemical Identifiers
| CAS Number | 357441-79-3 |
|---|---|
| SMILES | CCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
AB00122102-01 (CAS 357441-79-3), with molecular formula C16H18F3N3O4 and molecular weight 373.12 g/mol. IUPAC: 1-[3-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(4-nitrophenyl)ethanone.
Chemical Property Profile of AB00122102-01
Property Insights of AB00122102-01
The XLogP value of 3.1667 indicates that AB00122102-01 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 AB00122102-01. Following Lipinski's Rule of Five, AB00122102-01 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 AB00122102-01?
The CAS number of AB00122102-01 is 357441-79-3.
What is the molecular formula of AB00122102-01?
The molecular formula of AB00122102-01 is C16H18F3N3O4.
What is the molecular weight of AB00122102-01?
The molecular weight of AB00122102-01 is 373.12 g/mol.
Where can I buy AB00122102-01?
You can request a quote for AB00122102-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122102-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122102-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.