1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester
TL;DR: 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester (CAS 78050-77-8) is a chemical compound with molecular formula C22H25NO7 and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydrocyclopenta[b]pyridine-3-carboxylate
Also Known As: 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester, ethyl 2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydrocyclopenta[b]pyridine-3-carboxylate, 4,5,6,7-Tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-1H-1-pyrindine-3-carboxylic acid ethyl ester, ethyl 2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H,7H-cyclopenta[b]pyridine-3-carboxylate, Ethyl 2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylate
| Molecular Formula | C22H25NO7 |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 2.2783 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.16312 |
| Heavy Atoms | 30 |
| Complexity | 964.1954 |
Chemical Identifiers
| CAS Number | 78050-77-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C(C2=O)C)C |
Product Overview
1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester (CAS 78050-77-8), with molecular formula C22H25NO7 and molecular weight 415.16 g/mol. IUPAC: ethyl 2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-1,4-dihydrocyclopenta[b]pyridine-3-carboxylate.
Chemical Property Profile of 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester
Property Insights of 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester
The XLogP value of 2.2783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester. Following Lipinski's Rule of Five, 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester has 1 hydrogen bond donor(s) and 8 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-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester?
The CAS number of 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester is 78050-77-8.
What is the molecular formula of 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester?
The molecular formula of 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester is C22H25NO7.
What is the molecular weight of 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester?
The molecular weight of 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester is 415.16 g/mol.
Where can I buy 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester?
You can request a quote for 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, 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-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-1-Pyrindine-3-carboxylic acid, 4,5,6,7-tetrahydro-2,6-dimethyl-5,7-dioxo-4-(3,4,5-trimethoxyphenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.