![methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate structure](/static/products/4304/430445-85-5.webp)
methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 430445-85-5) is a chemical compound with molecular formula C26H27FN2O6 and molecular weight 482.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-4-[[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, (Z)-methyl 4-(4-(2-((4-fluorophenyl)amino)-2-oxoethoxy)benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate
| Molecular Formula | C26H27FN2O6 |
|---|---|
| Molecular Weight | 482.19 g/mol |
| LogP | 3.5523 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 482.1853 |
| Heavy Atoms | 35 |
| Complexity | 1139.4369 |
Chemical Identifiers
| CAS Number | 430445-85-5 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)/C(=O)N1CCCOC)C(=O)OC |
Product Overview
methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 430445-85-5), with molecular formula C26H27FN2O6 and molecular weight 482.19 g/mol. IUPAC: methyl (4Z)-4-[[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 3.5523 indicates that methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate has 1 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 methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 430445-85-5.
What is the molecular formula of methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C26H27FN2O6.
What is the molecular weight of methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 482.19 g/mol.
Where can I buy methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4Z)-4-(4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.