1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester
TL;DR: 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester (CAS 57435-79-7) is a chemical compound with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-oxo-7-phenyl-1,6-dihydropyrrolo[3,4-b]pyridine-3-carboxylate
Also Known As: 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester, 3-Carbethoxy-4,5-dimethyl-7-phenyl-6H-pyrrolo(3,4-b)pyridin-2(1H)-one, ethyl 4,5-dimethyl-2-oxo-7-phenyl-1,6-dihydropyrrolo[3,4-b]pyridine-3-carboxylate, Ethyl 4,5-dimethyl-2-oxo-7-phenyl-2,6-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate, BRN 0760763
| Molecular Formula | C18H18N2O3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 3.31674 |
| Topological Polar Surface Area | 74.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.13174 |
| Heavy Atoms | 23 |
| Complexity | 936.29535 |
Chemical Identifiers
| CAS Number | 57435-79-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(NC(=C2NC1=O)C3=CC=CC=C3)C)C |
Product Overview
1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester (CAS 57435-79-7), with molecular formula C18H18N2O3 and molecular weight 310.13 g/mol. IUPAC: ethyl 4,5-dimethyl-2-oxo-7-phenyl-1,6-dihydropyrrolo[3,4-b]pyridine-3-carboxylate.
Chemical Property Profile of 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester
Property Insights of 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester
The XLogP value of 3.31674 indicates that 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester. Following Lipinski's Rule of Five, 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester has 2 hydrogen bond donor(s) and 3 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 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester?
The CAS number of 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester is 57435-79-7.
What is the molecular formula of 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester?
The molecular formula of 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester is C18H18N2O3.
What is the molecular weight of 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester?
The molecular weight of 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester is 310.13 g/mol.
Where can I buy 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester?
You can request a quote for 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrolo(3,4-b)pyridine-3-carboxylic acid, 2,6-dihydro-4,5-dimethyl-2-oxo-7-phenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.