methyl 4-(2-(4-(tert-butyl)phenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: methyl 4-(2-(4-(tert-butyl)phenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 797015-95-3) is a chemical compound with molecular formula C29H31N3O5 and molecular weight 501.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-(2-(4-(tert-butyl)phenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-[(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C29H31N3O5 |
|---|---|
| Molecular Weight | 501.23 g/mol |
| LogP | 4.73254 |
| Topological Polar Surface Area | 112.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.22638 |
| Heavy Atoms | 37 |
| Complexity | 1395.789 |
Chemical Identifiers
| CAS Number | 797015-95-3 |
|---|---|
| SMILES | CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(C)(C)C)/O)C)C(=O)OC |
Product Overview
methyl 4-(2-(4-(tert-butyl)phenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 797015-95-3), with molecular formula C29H31N3O5 and molecular weight 501.23 g/mol. IUPAC: methyl 4-[(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-(2-(4-(tert-butyl)phenyl)-4-hydroxy-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-(2-(4-(tert-butyl)phenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 4.73254 indicates that methyl 4-(2-(4-(tert-butyl)phenyl)-4-hydroxy-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 112.59 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(2-(4-(tert-butyl)phenyl)-4-hydroxy-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-(2-(4-(tert-butyl)phenyl)-4-hydroxy-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 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-(2-(4-(tert-butyl)phenyl)-4-hydroxy-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-(2-(4-(tert-butyl)phenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 797015-95-3.
What is the molecular formula of methyl 4-(2-(4-(tert-butyl)phenyl)-4-hydroxy-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-(2-(4-(tert-butyl)phenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is C29H31N3O5.
What is the molecular weight of methyl 4-(2-(4-(tert-butyl)phenyl)-4-hydroxy-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-(2-(4-(tert-butyl)phenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 501.23 g/mol.
Where can I buy methyl 4-(2-(4-(tert-butyl)phenyl)-4-hydroxy-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-(2-(4-(tert-butyl)phenyl)-4-hydroxy-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-(2-(4-(tert-butyl)phenyl)-4-hydroxy-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-(2-(4-(tert-butyl)phenyl)-4-hydroxy-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.