1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine
TL;DR: 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine (CAS 180301-45-5) is a chemical compound with molecular formula C15H23N5O2S2 and molecular weight 369.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl N,N-diethylcarbamodithioate
Also Known As: 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine, Carbamodithioic acid, diethyl-, 3-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)propyl ester, 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl N,N-diethylcarbamodithioate, 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl N,N-diethylcarbam, Carbamodithioic acid, diethyl-, 3-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6 -dioxo-1H-purin-1-yl)propyl e
| Molecular Formula | C15H23N5O2S2 |
|---|---|
| Molecular Weight | 369.13 g/mol |
| LogP | 1.1837 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.1293 |
| Heavy Atoms | 24 |
| Complexity | 847.8921 |
Chemical Identifiers
| CAS Number | 180301-45-5 |
|---|---|
| SMILES | CCN(CC)C(=S)SCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C |
Product Overview
1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine (CAS 180301-45-5), with molecular formula C15H23N5O2S2 and molecular weight 369.13 g/mol. IUPAC: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl N,N-diethylcarbamodithioate.
Chemical Property Profile of 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine
Property Insights of 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine
The XLogP value of 1.1837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine. Following Lipinski's Rule of Five, 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-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 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine?
The CAS number of 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine is 180301-45-5.
What is the molecular formula of 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine?
The molecular formula of 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine is C15H23N5O2S2.
What is the molecular weight of 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine?
The molecular weight of 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine is 369.13 g/mol.
Where can I buy 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine?
You can request a quote for 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(N,N-Diethyldithiocarbamoyl)propyl)-3,7-dimethylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.