Theophylline, 7-(2-(dodecylamino)ethyl)-
TL;DR: Theophylline, 7-(2-(dodecylamino)ethyl)- (CAS 52943-53-0) is a chemical compound with molecular formula C21H37N5O2 and molecular weight 391.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(dodecylamino)ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-(Dodecylamino)ethyl)theophylline, Theophylline, 7-(2-(dodecylamino)ethyl)-, Theophylline,7-(2-(dodecylamino)ethyl), 5-26-14-00004 (Beilstein Handbook Reference), 7-[2-(dodecylamino)ethyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C21H37N5O2 |
|---|---|
| Molecular Weight | 391.29 g/mol |
| LogP | 2.9442 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 391.29474 |
| Heavy Atoms | 28 |
| Complexity | 833.6591 |
Chemical Identifiers
| CAS Number | 52943-53-0 |
|---|---|
| SMILES | CCCCCCCCCCCCNCCN1C=NC2=C1C(=O)N(C(=O)N2C)C |
Product Overview
Theophylline, 7-(2-(dodecylamino)ethyl)- (CAS 52943-53-0), with molecular formula C21H37N5O2 and molecular weight 391.29 g/mol. IUPAC: 7-[2-(dodecylamino)ethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(2-(dodecylamino)ethyl)-
Property Insights of Theophylline, 7-(2-(dodecylamino)ethyl)-
The XLogP value of 2.9442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(2-(dodecylamino)ethyl)-. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-(dodecylamino)ethyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(2-(dodecylamino)ethyl)- has 1 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 Theophylline, 7-(2-(dodecylamino)ethyl)-?
The CAS number of Theophylline, 7-(2-(dodecylamino)ethyl)- is 52943-53-0.
What is the molecular formula of Theophylline, 7-(2-(dodecylamino)ethyl)-?
The molecular formula of Theophylline, 7-(2-(dodecylamino)ethyl)- is C21H37N5O2.
What is the molecular weight of Theophylline, 7-(2-(dodecylamino)ethyl)-?
The molecular weight of Theophylline, 7-(2-(dodecylamino)ethyl)- is 391.29 g/mol.
Where can I buy Theophylline, 7-(2-(dodecylamino)ethyl)-?
You can request a quote for Theophylline, 7-(2-(dodecylamino)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(2-(dodecylamino)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-(dodecylamino)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.