![methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate structure](/static/products/6798/679802-33-6.webp)
methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 679802-33-6) is a chemical compound with molecular formula C20H23NO6 and molecular weight 373.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-4-[(4-methoxycarbonylphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, (Z)-methyl 4-(4-(methoxycarbonyl)benzylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[(4-methoxycarbonylphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate, METHYL (4Z)-4-{[4-(METHOXYCARBONYL)PHENYL]METHYLIDENE}-1-(3-METHOXYPROPYL)-2-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLATE
| Molecular Formula | C20H23NO6 |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 2.1823 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.15253 |
| Heavy Atoms | 27 |
| Complexity | 791.1949 |
Chemical Identifiers
| CAS Number | 679802-33-6 |
|---|---|
| SMILES | CC1=C(/C(=C/C2=CC=C(C=C2)C(=O)OC)/C(=O)N1CCCOC)C(=O)OC |
Product Overview
methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 679802-33-6), with molecular formula C20H23NO6 and molecular weight 373.15 g/mol. IUPAC: methyl (4Z)-4-[(4-methoxycarbonylphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 2.1823 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4Z)-4-[4-(methoxycarbonyl)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-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate has 0 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-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 679802-33-6.
What is the molecular formula of methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C20H23NO6.
What is the molecular weight of methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl (4Z)-4-[4-(methoxycarbonyl)benzylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 373.15 g/mol.
Where can I buy methyl (4Z)-4-[4-(methoxycarbonyl)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-(methoxycarbonyl)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-(methoxycarbonyl)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-(methoxycarbonyl)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.