![4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid structure](/static/products/4953/495377-90-7.webp)
4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid
TL;DR: 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid (CAS 495377-90-7) is a chemical compound with molecular formula C28H25N3O6 and molecular weight 499.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid
Also Known As: 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid, 4-{[(2-methoxy-4-{[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetyl]amino}benzoic acid, (Z)-4-(2-(2-methoxy-4-((3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4(5H)-ylidene)methyl)phenoxy)acetamido)benzoic acid, 4-{[2-(2-METHOXY-4-{[3-METHYL-1-(4-METHYLPHENYL)-5-OXO-1,5-DIHYDRO-4H-PYRAZOL-4-YLIDEN]METHYL}PHENOXY)ACETYL]AMINO}BENZOIC ACID
| Molecular Formula | C28H25N3O6 |
|---|---|
| Molecular Weight | 499.17 g/mol |
| LogP | 4.52542 |
| Topological Polar Surface Area | 117.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.17435 |
| Heavy Atoms | 37 |
| Complexity | 1408.835 |
Chemical Identifiers
| CAS Number | 495377-90-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C(=O)O)OC)/C(=N2)C |
Product Overview
4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid (CAS 495377-90-7), with molecular formula C28H25N3O6 and molecular weight 499.17 g/mol. IUPAC: 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid.
Chemical Property Profile of 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid
Property Insights of 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid
The XLogP value of 4.52542 indicates that 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid has 2 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 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid?
The CAS number of 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid is 495377-90-7.
What is the molecular formula of 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid?
The molecular formula of 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid is C28H25N3O6.
What is the molecular weight of 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid?
The molecular weight of 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid is 499.17 g/mol.
Where can I buy 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid?
You can request a quote for 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]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-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-[2-methoxy-4-[(Z)-[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methyl]phenoxy]acetyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.