7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide
TL;DR: 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide (CAS 52943-56-3) is a chemical compound with molecular formula C19H34IN5O2 and molecular weight 491.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione;iodomethane
Also Known As: 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide, Theophylline, 7-(2-((1,5-dimethylhexyl)methylamino)ethyl)-, compd. with methiodide, 1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione; iodomethane, 1,3-Dimethyl-7-{2-[methyl(6-methylheptan-2-yl)amino]ethyl}-3,7-dihydro-1H-purine-2,6-dione--iodomethane (1/1), RefChem:384363
| Molecular Formula | C19H34IN5O2 |
|---|---|
| Molecular Weight | 491.18 g/mol |
| LogP | 2.6315 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.17572 |
| Heavy Atoms | 27 |
| Complexity | 836.9632 |
Chemical Identifiers
| CAS Number | 52943-56-3 |
|---|---|
| SMILES | CC(C)CCCC(C)N(C)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.CI |
Product Overview
7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide (CAS 52943-56-3), with molecular formula C19H34IN5O2 and molecular weight 491.18 g/mol. IUPAC: 1,3-dimethyl-7-[2-[methyl(6-methylheptan-2-yl)amino]ethyl]purine-2,6-dione;iodomethane.
Chemical Property Profile of 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide
Property Insights of 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide
The XLogP value of 2.6315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide. Following Lipinski's Rule of Five, 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide has 0 hydrogen bond donor(s) and 4 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-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide?
The CAS number of 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide is 52943-56-3.
What is the molecular formula of 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide?
The molecular formula of 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide is C19H34IN5O2.
What is the molecular weight of 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide?
The molecular weight of 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide is 491.18 g/mol.
Where can I buy 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide?
You can request a quote for 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-((1,5-Dimethylhexyl)methylamino)ethyl)theophylline compd. with methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.