![4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid structure](/static/products/5628/5628-01-3.webp)
4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid
TL;DR: 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid (CAS 5628-01-3) is a chemical compound with molecular formula C19H17N3O3 and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzoic acid
Also Known As: 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid, 4-methyl-3-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methylamino]benzoic Acid, 4-methyl-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]benzoic acid, 4-methyl-3-[[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]benzoic acid, 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl(1,2-diazolin-4-ylidene))methyl]amino}ben zoic acid
| Molecular Formula | C19H17N3O3 |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 3.23124 |
| Topological Polar Surface Area | 87.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.12698 |
| Heavy Atoms | 25 |
| Complexity | 1014.13873 |
Chemical Identifiers
| CAS Number | 5628-01-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N=CC2=C(NN(C2=O)C3=CC=CC=C3)C |
Product Overview
4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid (CAS 5628-01-3), with molecular formula C19H17N3O3 and molecular weight 335.13 g/mol. IUPAC: 4-methyl-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzoic acid.
Chemical Property Profile of 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid
Property Insights of 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid
The XLogP value of 3.23124 indicates that 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 3 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 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid?
The CAS number of 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid is 5628-01-3.
What is the molecular formula of 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid?
The molecular formula of 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid is C19H17N3O3.
What is the molecular weight of 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid?
The molecular weight of 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid is 335.13 g/mol.
Where can I buy 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid?
You can request a quote for 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}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-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.