![3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid structure](/static/products/455/455324-68-2.png)
3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid
TL;DR: 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid (CAS 455324-68-2) is a chemical compound with molecular formula C23H18N2O4 and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid, 3-methyl-4-[5-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-2-furyl]benzoic Acid, (E)-3-methyl-4-(5-((3-methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)methyl)furan-2-yl)benzoic acid, 3-methyl-4-[5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid
| Molecular Formula | C23H18N2O4 |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 4.75932 |
| Topological Polar Surface Area | 83.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.12665 |
| Heavy Atoms | 29 |
| Complexity | 1172.5984 |
Chemical Identifiers
| CAS Number | 455324-68-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C/3\C(=NN(C3=O)C4=CC=CC=C4)C |
Product Overview
3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid (CAS 455324-68-2), with molecular formula C23H18N2O4 and molecular weight 386.13 g/mol. IUPAC: 3-methyl-4-[5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid
Property Insights of 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid
The XLogP value of 4.75932 indicates that 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid. Following Lipinski's Rule of Five, 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid 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 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid?
The CAS number of 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid is 455324-68-2.
What is the molecular formula of 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid?
The molecular formula of 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid is C23H18N2O4.
What is the molecular weight of 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid?
The molecular weight of 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid is 386.13 g/mol.
Where can I buy 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid?
You can request a quote for 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-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 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-{5-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]furan-2-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.