![4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid structure](/static/products/371/371232-86-9.png)
4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
TL;DR: 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid (CAS 371232-86-9) is a chemical compound with molecular formula C18H19NO6 and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[4-methoxycarbonyl-1-(2-methoxyethyl)-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoic acid
Also Known As: 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid, (Z)-4-((4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1H-pyrrol-3(2H)-ylidene)methyl)benzoic acid, 4-[(Z)-[4-methoxycarbonyl-1-(2-methoxyethyl)-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoic acid, 4-[[4-methoxycarbonyl-1-(2-methoxyethyl)-5-methyl-2-oxo-pyrrol-3-ylidene]methyl]benzoic Acid, 4-{[(3Z)-4-(METHOXYCARBONYL)-1-(2-METHOXYETHYL)-5-METHYL-2-OXO-2,3-DIHYDRO-1H-PYRROL-3-YLIDENE]METHYL}BENZOIC ACID
| Molecular Formula | C18H19NO6 |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 1.7038 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.12125 |
| Heavy Atoms | 25 |
| Complexity | 760.2759 |
Chemical Identifiers
| CAS Number | 371232-86-9 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC=C(C=C2)C(=O)O)/C(=O)N1CCOC)C(=O)OC |
Product Overview
4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid (CAS 371232-86-9), with molecular formula C18H19NO6 and molecular weight 345.12 g/mol. IUPAC: 4-[(Z)-[4-methoxycarbonyl-1-(2-methoxyethyl)-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoic acid.
Chemical Property Profile of 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Property Insights of 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
The XLogP value of 1.7038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-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 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid?
The CAS number of 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid is 371232-86-9.
What is the molecular formula of 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid?
The molecular formula of 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid is C18H19NO6.
What is the molecular weight of 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid?
The molecular weight of 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid is 345.12 g/mol.
Where can I buy 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid?
You can request a quote for 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-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 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{(Z)-[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.