7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine
TL;DR: 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine (CAS 180301-43-3) is a chemical compound with molecular formula C14H21N5O2S2 and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl N,N-diethylcarbamodithioate
Also Known As: 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine, Carbamodithioic acid, diethyl-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl N,N-diethylcarbamodithioate, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl N,N-diethylcarbamo, Carbamodithioic acid, diethyl-, 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6 -dioxo-7H-purin-7-yl)ethyl es
| Molecular Formula | C14H21N5O2S2 |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | 0.7936 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.11368 |
| Heavy Atoms | 23 |
| Complexity | 832.0308 |
Chemical Identifiers
| CAS Number | 180301-43-3 |
|---|---|
| SMILES | CCN(CC)C(=S)SCCN1C=NC2=C1C(=O)N(C(=O)N2C)C |
Product Overview
7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine (CAS 180301-43-3), with molecular formula C14H21N5O2S2 and molecular weight 355.11 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl N,N-diethylcarbamodithioate.
Chemical Property Profile of 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine
Property Insights of 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine
The XLogP value of 0.7936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine. Following Lipinski's Rule of Five, 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine 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 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine?
The CAS number of 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine is 180301-43-3.
What is the molecular formula of 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine?
The molecular formula of 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine is C14H21N5O2S2.
What is the molecular weight of 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine?
The molecular weight of 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine is 355.11 g/mol.
Where can I buy 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine?
You can request a quote for 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-(N,N-Diethyldithiocarbamoyl)ethyl)-1,3-dimethylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.