8-(2-(Diethylamino)ethoxy)-caffeine
TL;DR: 8-(2-(Diethylamino)ethoxy)-caffeine (CAS 5426-72-2) is a chemical compound with molecular formula C14H23N5O3 and molecular weight 309.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(diethylamino)ethoxy]-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-(beta-Diethylaminoethoxy)caffeine, CAFFEINE, 8-(2-(DIETHYLAMINO)ETHOXY)-, 8-(2-(Diethylamino)ethoxy)-caffeine, 8-[2-(Diethylamino)ethoxy]caffeine, Caffeine, 8-[2-(diethylamino)ethoxy]-
| Molecular Formula | C14H23N5O3 |
|---|---|
| Molecular Weight | 309.18 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.18008 |
| Heavy Atoms | 22 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 5426-72-2 |
|---|---|
| SMILES | CCN(CC)CCOC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C |
| InChIKey | CJFBPYHVVXKJQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-(2-(Diethylamino)ethoxy)-caffeine (CAS 5426-72-2), with molecular formula C14H23N5O3 and molecular weight 309.18 g/mol. IUPAC: 8-[2-(diethylamino)ethoxy]-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-(2-(Diethylamino)ethoxy)-caffeine
Property Insights of 8-(2-(Diethylamino)ethoxy)-caffeine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(2-(Diethylamino)ethoxy)-caffeine. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2-(Diethylamino)ethoxy)-caffeine. Following Lipinski's Rule of Five, 8-(2-(Diethylamino)ethoxy)-caffeine has 0 hydrogen bond donor(s) and 5 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 8-(2-(Diethylamino)ethoxy)-caffeine?
The CAS number of 8-(2-(Diethylamino)ethoxy)-caffeine is 5426-72-2.
What is the molecular formula of 8-(2-(Diethylamino)ethoxy)-caffeine?
The molecular formula of 8-(2-(Diethylamino)ethoxy)-caffeine is C14H23N5O3.
What is the molecular weight of 8-(2-(Diethylamino)ethoxy)-caffeine?
The molecular weight of 8-(2-(Diethylamino)ethoxy)-caffeine is 309.18 g/mol.
Where can I buy 8-(2-(Diethylamino)ethoxy)-caffeine?
You can request a quote for 8-(2-(Diethylamino)ethoxy)-caffeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(2-(Diethylamino)ethoxy)-caffeine?
Yes, KEHONG BIO provides custom synthesis services for 8-(2-(Diethylamino)ethoxy)-caffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.