methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 797796-86-2) is a chemical compound with molecular formula C26H25N3O6 and molecular weight 475.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-hydroxy-[2-(2-methoxyphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-hydroxy-[2-(2-methoxyphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C26H25N3O6 |
|---|---|
| Molecular Weight | 475.17 g/mol |
| LogP | 3.44364 |
| Topological Polar Surface Area | 121.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.17435 |
| Heavy Atoms | 35 |
| Complexity | 1342.372 |
Chemical Identifiers
| CAS Number | 797796-86-2 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC=C4OC)/O)C)C(=O)OC |
Product Overview
methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 797796-86-2), with molecular formula C26H25N3O6 and molecular weight 475.17 g/mol. IUPAC: methyl 4-[(E)-hydroxy-[2-(2-methoxyphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 3.44364 indicates that methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.82 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate has 2 hydrogen bond donor(s) and 7 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 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 797796-86-2.
What is the molecular formula of methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is C26H25N3O6.
What is the molecular weight of methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 475.17 g/mol.
Where can I buy methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-hydroxy-2-(2-methoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.