Theophylline, 7-(2-(hexadecylamino)ethyl)-
TL;DR: Theophylline, 7-(2-(hexadecylamino)ethyl)- (CAS 52943-52-9) is a chemical compound with molecular formula C25H45N5O2 and molecular weight 447.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(hexadecylamino)ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-(Hexadecylamino)ethyl)theophylline, Theophylline, 7-(2-(hexadecylamino)ethyl)-, 5-26-14-00004 (Beilstein Handbook Reference), 7-[2-(hexadecylamino)ethyl]-1,3-dimethylpurine-2,6-dione, 1H-Purine-2,6-dione, 7-(2-(hexadecylamino)ethyl)-3,7-dihydro-1,3-dimethyl-
| Molecular Formula | C25H45N5O2 |
|---|---|
| Molecular Weight | 447.36 g/mol |
| LogP | 4.5046 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 447.35733 |
| Heavy Atoms | 32 |
| Complexity | 896.0949 |
Chemical Identifiers
| CAS Number | 52943-52-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCNCCN1C=NC2=C1C(=O)N(C(=O)N2C)C |
Product Overview
Theophylline, 7-(2-(hexadecylamino)ethyl)- (CAS 52943-52-9), with molecular formula C25H45N5O2 and molecular weight 447.36 g/mol. IUPAC: 7-[2-(hexadecylamino)ethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Theophylline, 7-(2-(hexadecylamino)ethyl)-
Property Insights of Theophylline, 7-(2-(hexadecylamino)ethyl)-
The XLogP value of 4.5046 indicates that Theophylline, 7-(2-(hexadecylamino)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-(hexadecylamino)ethyl)-. Following Lipinski's Rule of Five, Theophylline, 7-(2-(hexadecylamino)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-(hexadecylamino)ethyl)-?
The CAS number of Theophylline, 7-(2-(hexadecylamino)ethyl)- is 52943-52-9.
What is the molecular formula of Theophylline, 7-(2-(hexadecylamino)ethyl)-?
The molecular formula of Theophylline, 7-(2-(hexadecylamino)ethyl)- is C25H45N5O2.
What is the molecular weight of Theophylline, 7-(2-(hexadecylamino)ethyl)-?
The molecular weight of Theophylline, 7-(2-(hexadecylamino)ethyl)- is 447.36 g/mol.
Where can I buy Theophylline, 7-(2-(hexadecylamino)ethyl)-?
You can request a quote for Theophylline, 7-(2-(hexadecylamino)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-(hexadecylamino)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-(hexadecylamino)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.