AN-989/40664007
TL;DR: AN-989/40664007 (CAS 428831-89-4) is a chemical compound with molecular formula C26H21ClN2O6 and molecular weight 492.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
Also Known As: AN-989/40664007, methyl 4-(4-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-3,5-dioxo-1-pyrazolidinyl)benzoate, methyl 4-[(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate, (Z)-methyl 4-(4-(4-((4-chlorobenzyl)oxy)-3-methoxybenzylidene)-3,5-dioxopyrazolidin-1-yl)benzoate
| Molecular Formula | C26H21ClN2O6 |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 4.1756 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.10883 |
| Heavy Atoms | 35 |
| Complexity | 1302.4222 |
Chemical Identifiers
| CAS Number | 428831-89-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)C(=O)OC)OCC4=CC=C(C=C4)Cl |
Product Overview
AN-989/40664007 (CAS 428831-89-4), with molecular formula C26H21ClN2O6 and molecular weight 492.11 g/mol. IUPAC: methyl 4-[(4Z)-4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate.
Chemical Property Profile of AN-989/40664007
Property Insights of AN-989/40664007
The XLogP value of 4.1756 indicates that AN-989/40664007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/40664007. Following Lipinski's Rule of Five, AN-989/40664007 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 AN-989/40664007?
The CAS number of AN-989/40664007 is 428831-89-4.
What is the molecular formula of AN-989/40664007?
The molecular formula of AN-989/40664007 is C26H21ClN2O6.
What is the molecular weight of AN-989/40664007?
The molecular weight of AN-989/40664007 is 492.11 g/mol.
Where can I buy AN-989/40664007?
You can request a quote for AN-989/40664007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/40664007?
Yes, KEHONG BIO provides custom synthesis services for AN-989/40664007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.