N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide
TL;DR: N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide (CAS 106163-62-6) is a chemical compound with molecular formula C13H19N5O5 and molecular weight 325.1386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,3-dihydroxypropyl)-2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-methylacetamide
Also Known As: N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide, N-(2,3-Dihydroxypropyl)-1,2,3,6-tetrahydro-N,1,3-trimethyl-2,6-dioxopurine-8-acetamide, Purine-8-acetamide, N-(2,3-dihydroxypropyl)-1,2,3,6-tetrahydro-N,1,3-trimethyl-2,6-dioxo-, N-(2,3-dihydroxypropyl)-2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N-methylacetamide, N-(2,3-Dihydroxypropyl)-2-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)-N-methylacetamide
Technical Specifications
| Molecular Formula | C13H19N5O5 |
| Molecular Weight | 325.1386 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.1386 Da |
| Heavy Atoms | 23 |
| Complexity | 501.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC(=O)N(C)CC(CO)O |
| InChIKey | NIVKQBLZRGGTBG-UHFFFAOYSA-N |
Chemical Property Profile of N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide
Property Insights of N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide
The XLogP value of -2.3 indicates that N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide. Following Lipinski's Rule of Five, N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide?
The CAS number of N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide is 106163-62-6.
What is the molecular formula of N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide?
The molecular formula of N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide is C13H19N5O5.
What is the molecular weight of N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide?
The molecular weight of N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide is 325.1386 g/mol.
Where can I buy N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide?
You can request a quote for N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide?
Yes, CoreyChem provides custom synthesis services for N-Methyl-N-beta,gamma-dihydroxypropyl theophyllinyl-8-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.