(Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid
TL;DR: (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid (CAS 428832-29-5) is a chemical compound with molecular formula C22H19NO6 and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[4-methoxycarbonyl-1-(4-methoxyphenyl)-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoic acid
Also Known As: (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid, 4-[(Z)-[4-methoxycarbonyl-1-(4-methoxyphenyl)-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoic acid, 4-[[4-methoxycarbonyl-1-(4-methoxyphenyl)-5-methyl-2-oxo-pyrrol-3-ylidene]methyl]benzoic Acid, 4-{(Z)-[4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid, 4-{[(3Z)-4-(METHOXYCARBONYL)-1-(4-METHOXYPHENYL)-5-METHYL-2-OXO-2,3-DIHYDRO-1H-PYRROL-3-YLIDENE]METHYL}BENZOIC ACID
| Molecular Formula | C22H19NO6 |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 3.2706 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.12125 |
| Heavy Atoms | 29 |
| Complexity | 1031.977 |
Chemical Identifiers
| CAS Number | 428832-29-5 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC=C(C=C2)C(=O)O)/C(=O)N1C3=CC=C(C=C3)OC)C(=O)OC |
Product Overview
(Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid (CAS 428832-29-5), with molecular formula C22H19NO6 and molecular weight 393.12 g/mol. IUPAC: 4-[(Z)-[4-methoxycarbonyl-1-(4-methoxyphenyl)-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoic acid.
Chemical Property Profile of (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid
Property Insights of (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid
The XLogP value of 3.2706 indicates that (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid 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)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid?
The CAS number of (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid is 428832-29-5.
What is the molecular formula of (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid?
The molecular formula of (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid is C22H19NO6.
What is the molecular weight of (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid?
The molecular weight of (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid is 393.12 g/mol.
Where can I buy (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid?
You can request a quote for (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((4-(methoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.