(Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate
TL;DR: (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate (CAS 329199-69-1) is a chemical compound with molecular formula C25H21ClN2O5 and molecular weight 464.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chloro-5-[5-[(Z)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate
Also Known As: (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate, ethyl 2-chloro-5-(5-{(Z)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate, ETHYL 2-CHLORO-5-(5-{[(4Z)-1-(3,4-DIMETHYLPHENYL)-3,5-DIOXOPYRAZOLIDIN-4-YLIDENE]METHYL}FURAN-2-YL)BENZOATE, ethyl 2-chloro-5-[5-[(Z)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate, ethyl 5-(5-{[1-(3,4-dimethylphenyl)-3,5-dioxo(1,2-diazolidin-4-ylidene)]methyl }(2-furyl))-2-chlorobenzoate
| Molecular Formula | C25H21ClN2O5 |
|---|---|
| Molecular Weight | 464.11 g/mol |
| LogP | 4.85494 |
| Topological Polar Surface Area | 88.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.1139 |
| Heavy Atoms | 33 |
| Complexity | 1307.8761 |
Chemical Identifiers
| CAS Number | 329199-69-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=C\3/C(=O)NN(C3=O)C4=CC(=C(C=C4)C)C)Cl |
Product Overview
(Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate (CAS 329199-69-1), with molecular formula C25H21ClN2O5 and molecular weight 464.11 g/mol. IUPAC: ethyl 2-chloro-5-[5-[(Z)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate.
Chemical Property Profile of (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate
Property Insights of (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate
The XLogP value of 4.85494 indicates that (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate. Following Lipinski's Rule of Five, (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate 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 (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate?
The CAS number of (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate is 329199-69-1.
What is the molecular formula of (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate?
The molecular formula of (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate is C25H21ClN2O5.
What is the molecular weight of (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate?
The molecular weight of (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate is 464.11 g/mol.
Where can I buy (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate?
You can request a quote for (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 2-chloro-5-(5-((1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.