![8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German] structure](/static/products/5602/56021-89-7.webp)
8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German]
TL;DR: 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German] (CAS 56021-89-7) is a chemical compound with molecular formula C18H21N5O4 and molecular weight 371.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)ethyl 2,4-dimethylpyridine-3-carboxylate
Also Known As: 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German], 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein, 8-[alpha-(2,4-dimethylnicotinoyloxy)-ethyl]-caffeine, 3-Pyridinecarboxylic acid, 2,4-dimethyl-, 1-(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)ethyl ester, 1-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethyl 2,4-dimethylpyridine-3-carboxylate
| Molecular Formula | C18H21N5O4 |
|---|---|
| Molecular Weight | 371.16 g/mol |
| LogP | 0.90054 |
| Topological Polar Surface Area | 101.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.15936 |
| Heavy Atoms | 27 |
| Complexity | 1164.9009 |
Chemical Identifiers
| CAS Number | 56021-89-7 |
|---|---|
| SMILES | CC1=C(C(=NC=C1)C)C(=O)OC(C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C |
Product Overview
8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German] (CAS 56021-89-7), with molecular formula C18H21N5O4 and molecular weight 371.16 g/mol. IUPAC: 1-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)ethyl 2,4-dimethylpyridine-3-carboxylate.
Chemical Property Profile of 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German]
Property Insights of 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German]
The XLogP value of 0.90054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German]. The TPSA of 101.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German]. Following Lipinski's Rule of Five, 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German] has 0 hydrogen bond donor(s) and 6 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-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German]?
The CAS number of 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German] is 56021-89-7.
What is the molecular formula of 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German]?
The molecular formula of 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German] is C18H21N5O4.
What is the molecular weight of 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German]?
The molecular weight of 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German] is 371.16 g/mol.
Where can I buy 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German]?
You can request a quote for 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German]?
Yes, KEHONG BIO provides custom synthesis services for 8-(alpha-(2,4-Dimethyl-nicotinoyloxy)-aethyl)-coffein [German] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.