AN-989/40664002
TL;DR: AN-989/40664002 (CAS 441738-45-0) is a chemical compound with molecular formula C24H18ClFN2O4 and molecular weight 452.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-(4-fluorophenyl)pyrazolidine-3,5-dione
Also Known As: AN-989/40664002, (4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-(4-fluorophenyl)pyrazolidine-3,5-dione, 4-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-1-(4-fluorophenyl)-3,5-pyrazolidinedione, (4Z)-4-({4-[(4-CHLOROPHENYL)METHOXY]-3-METHOXYPHENYL}METHYLIDENE)-1-(4-FLUOROPHENYL)PYRAZOLIDINE-3,5-DIONE, (4Z)-4-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-2-(4-fluorophenyl)-5-hydroxy-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C24H18ClFN2O4 |
|---|---|
| Molecular Weight | 452.09 g/mol |
| LogP | 4.5281 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.0939 |
| Heavy Atoms | 32 |
| Complexity | 1193.626 |
Chemical Identifiers
| CAS Number | 441738-45-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)F)OCC4=CC=C(C=C4)Cl |
Product Overview
AN-989/40664002 (CAS 441738-45-0), with molecular formula C24H18ClFN2O4 and molecular weight 452.09 g/mol. IUPAC: (4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-(4-fluorophenyl)pyrazolidine-3,5-dione.
Chemical Property Profile of AN-989/40664002
Property Insights of AN-989/40664002
The XLogP value of 4.5281 indicates that AN-989/40664002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40664002. Following Lipinski's Rule of Five, AN-989/40664002 has 1 hydrogen bond donor(s) and 4 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 AN-989/40664002?
The CAS number of AN-989/40664002 is 441738-45-0.
What is the molecular formula of AN-989/40664002?
The molecular formula of AN-989/40664002 is C24H18ClFN2O4.
What is the molecular weight of AN-989/40664002?
The molecular weight of AN-989/40664002 is 452.09 g/mol.
Where can I buy AN-989/40664002?
You can request a quote for AN-989/40664002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40664002?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40664002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.