![4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid structure](/static/products/3137/313701-89-2.webp)
4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
TL;DR: 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid (CAS 313701-89-2) is a chemical compound with molecular formula C25H19ClN2O6 and molecular weight 478.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4E)-4-[[5-(4-chloro-3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid, (E)-4-(4-((5-(4-chloro-3-(ethoxycarbonyl)phenyl)furan-2-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid, 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]-2-furyl}methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid, 4-[(4E)-4-[[5-(4-chloro-3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid, 4-[4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl](2-furyl)}methylene)-3-methyl-5-ox o-1,2-diazolinyl]benzoic acid
| Molecular Formula | C25H19ClN2O6 |
|---|---|
| Molecular Weight | 478.09 g/mol |
| LogP | 5.281 |
| Topological Polar Surface Area | 109.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.09317 |
| Heavy Atoms | 34 |
| Complexity | 1353.9803 |
Chemical Identifiers
| CAS Number | 313701-89-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)/C=C/3\C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C)Cl |
Product Overview
4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid (CAS 313701-89-2), with molecular formula C25H19ClN2O6 and molecular weight 478.09 g/mol. IUPAC: 4-[(4E)-4-[[5-(4-chloro-3-ethoxycarbonylphenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Property Insights of 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
The XLogP value of 5.281 indicates that 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid?
The CAS number of 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid is 313701-89-2.
What is the molecular formula of 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid?
The molecular formula of 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid is C25H19ClN2O6.
What is the molecular weight of 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid?
The molecular weight of 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid is 478.09 g/mol.
Where can I buy 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid?
You can request a quote for 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4E)-4-({5-[4-chloro-3-(ethoxycarbonyl)phenyl]furan-2-yl}methylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.