AB00116604-01
TL;DR: AB00116604-01 (CAS 431927-18-3) is a chemical compound with molecular formula C22H18ClF3N2O5 and molecular weight 482.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4Z)-4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate
Also Known As: AB00116604-01, AN-989/40872696, ethyl 4-[4-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoate, ethyl 4-[4-[(Z)-(3-chloro-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzoate, (Z)-ethyl 4-(4-(3-chloro-5-ethoxy-4-hydroxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoate
| Molecular Formula | C22H18ClF3N2O5 |
|---|---|
| Molecular Weight | 482.09 g/mol |
| LogP | 4.9695 |
| Topological Polar Surface Area | 88.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.08563 |
| Heavy Atoms | 33 |
| Complexity | 1143.9557 |
Chemical Identifiers
| CAS Number | 431927-18-3 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)C(=O)OCC)C(F)(F)F)Cl)O |
Product Overview
AB00116604-01 (CAS 431927-18-3), with molecular formula C22H18ClF3N2O5 and molecular weight 482.09 g/mol. IUPAC: ethyl 4-[(4Z)-4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-5-oxo-3-(trifluoromethyl)pyrazol-1-yl]benzoate.
Chemical Property Profile of AB00116604-01
Property Insights of AB00116604-01
The XLogP value of 4.9695 indicates that AB00116604-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116604-01. Following Lipinski's Rule of Five, AB00116604-01 has 1 hydrogen bond donor(s) and 6 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 AB00116604-01?
The CAS number of AB00116604-01 is 431927-18-3.
What is the molecular formula of AB00116604-01?
The molecular formula of AB00116604-01 is C22H18ClF3N2O5.
What is the molecular weight of AB00116604-01?
The molecular weight of AB00116604-01 is 482.09 g/mol.
Where can I buy AB00116604-01?
You can request a quote for AB00116604-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116604-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116604-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.