methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 396104-47-5) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, methyl 5-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate, methyl 5-[(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 1.83084 |
| Topological Polar Surface Area | 108.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 898.8665 |
Chemical Identifiers
| CAS Number | 396104-47-5 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)CC2(C3=CC=CC=C3NC2=O)O |
Product Overview
methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 396104-47-5), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: methyl 5-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 1.83084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. The TPSA of 108.49 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate has 3 hydrogen bond donor(s) and 5 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 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 396104-47-5.
What is the molecular formula of methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is C18H18N2O5.
What is the molecular weight of methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 342.12 g/mol.
Where can I buy methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-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 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(2-(3-hydroxy-2-oxoindolin-3-yl)acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.