1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
TL;DR: 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (CAS 47043-84-5) is a chemical compound with molecular formula C13H21N5O2 and molecular weight 279.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(diethylamino)ethyl]-3,7-dimethylpurine-2,6-dione
Also Known As: Diaethylaminoaethyltheobromin, Diaethylaminoaethyltheobromin [German], Theobromine, 1-(2-(diethylamino)ethyl)-, 1-[2-(Diethylamino)ethyl]theobromine, 4-26-00-02408 (Beilstein Handbook Reference)
| Molecular Formula | C13H21N5O2 |
|---|---|
| Molecular Weight | 279.17 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.16953 |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 47043-84-5 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C |
| InChIKey | VKOXRXUZRICXTA-UHFFFAOYSA-N |
Product Overview
1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione (CAS 47043-84-5), with molecular formula C13H21N5O2 and molecular weight 279.17 g/mol. IUPAC: 1-[2-(diethylamino)ethyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
Property Insights of 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione 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 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione?
The CAS number of 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione is 47043-84-5.
What is the molecular formula of 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione?
The molecular formula of 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione is C13H21N5O2.
What is the molecular weight of 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione?
The molecular weight of 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione is 279.17 g/mol.
Where can I buy 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione?
You can request a quote for 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Diethylamino)ethyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.