![methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate structure](/static/products/4729/472983-87-2.webp)
methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
TL;DR: methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 472983-87-2) is a chemical compound with molecular formula C26H30N2O6 and molecular weight 466.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4Z)-4-[[1-(2-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate
Also Known As: methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, (Z)-methyl 4-((1-(2-(methoxycarbonyl)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate, methyl (4Z)-4-[[1-(2-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate
| Molecular Formula | C26H30N2O6 |
|---|---|
| Molecular Weight | 466.21 g/mol |
| LogP | 3.58984 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.2104 |
| Heavy Atoms | 34 |
| Complexity | 1187.893 |
Chemical Identifiers
| CAS Number | 472983-87-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)/C=C\3/C(=C(N(C3=O)CCCOC)C)C(=O)OC |
Product Overview
methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate (CAS 472983-87-2), with molecular formula C26H30N2O6 and molecular weight 466.21 g/mol. IUPAC: methyl (4Z)-4-[[1-(2-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxopyrrole-3-carboxylate.
Chemical Property Profile of methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Property Insights of methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
The XLogP value of 3.58984 indicates that methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-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 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-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-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The CAS number of methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 472983-87-2.
What is the molecular formula of methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular formula of methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is C26H30N2O6.
What is the molecular weight of methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
The molecular weight of methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate is 466.21 g/mol.
Where can I buy methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate?
You can request a quote for methyl (4Z)-4-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-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-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-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-({1-[2-(methoxycarbonyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-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.