3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester
TL;DR: 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester (CAS 135129-42-9) is a chemical compound with molecular formula C24H25N7O6 and molecular weight 507.18665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(pyridine-3-carbonyloxy)ethyl-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethyl pyridine-3-carboxylate
Also Known As: 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester, [(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)azanediyl]di(ethane-2,1-diyl) dipyridine-3-carboxylate, 2-[2-(pyridine-3-carbonyloxy)ethyl-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethyl pyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C24H25N7O6 |
| Molecular Weight | 507.18665 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 507.18665 Da |
| Heavy Atoms | 37 |
| Complexity | 823.0 |
| SMILES | CN1C2=C(N=C1N(CCOC(=O)C3=CN=CC=C3)CCOC(=O)C4=CN=CC=C4)N(C(=O)N(C2=O)C)C |
| InChIKey | PFBOWXIONVOHQP-UHFFFAOYSA-N |
Chemical Property Profile of 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester
Property Insights of 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester. The TPSA of 140.0 Ų indicates high polarity, suggesting 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester?
The CAS number of 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester is 135129-42-9.
What is the molecular formula of 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester is C24H25N7O6.
What is the molecular weight of 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester is 507.18665 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.