7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)-
TL;DR: 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)- (CAS 69517-64-2) is a chemical compound with molecular formula C17H20N6O4 and molecular weight 372.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]-N-methylpyridine-4-carboxamide
Also Known As: 7-(3-(N-Methylisonicotinamidomethyl)-2-hydroxypropyl)theophylline, 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)-, Purineethanol, 1,3-dimethyl-2,6-dioxo-alpha-(N-methylisonicotinamidomethyl)-, alpha-(N-Methylisonicotinamidomethyl)-7-theophyllineethanol, N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]-N-methylpyridine-4-carboxamide
| Molecular Formula | C17H20N6O4 |
|---|---|
| Molecular Weight | 372.15 g/mol |
| LogP | -1.0382 |
| Topological Polar Surface Area | 115.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.1546 |
| Heavy Atoms | 27 |
| Complexity | 1098.2946 |
Chemical Identifiers
| CAS Number | 69517-64-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C(=O)C3=CC=NC=C3)O |
Product Overview
7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)- (CAS 69517-64-2), with molecular formula C17H20N6O4 and molecular weight 372.15 g/mol. IUPAC: N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]-N-methylpyridine-4-carboxamide.
Chemical Property Profile of 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)-
Property Insights of 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)-
The XLogP value of -1.0382 indicates that 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)-. Following Lipinski's Rule of Five, 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)- has 1 hydrogen bond donor(s) and 6 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 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)-?
The CAS number of 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)- is 69517-64-2.
What is the molecular formula of 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)-?
The molecular formula of 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)- is C17H20N6O4.
What is the molecular weight of 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)-?
The molecular weight of 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)- is 372.15 g/mol.
Where can I buy 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)-?
You can request a quote for 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.