7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione
TL;DR: 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione (CAS 2006-52-2) is a chemical compound with molecular formula C7H8N4S3 and molecular weight 243.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7,9-dihydropurine-2,6,8-trithione
Also Known As: 2,6-Dithio-8-mercaptotheophylline, Theophylline, 2,6-dithio-8-mercapto-, NCIOpen2_006096, Uric acid, 1,3-dimethyl-2,6,8-trithio-, Theophylline,6-dithio-8-mercapto-
| Molecular Formula | C7H8N4S3 |
|---|---|
| Molecular Weight | 243.99 g/mol |
| LogP | 2.36147 |
| Topological Polar Surface Area | 41.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.9911 |
| Heavy Atoms | 14 |
| Complexity | 668.77045 |
Chemical Identifiers
| CAS Number | 2006-52-2 |
|---|---|
| SMILES | CN1C2=C(C(=S)N(C1=S)C)NC(=S)N2 |
Product Overview
7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione (CAS 2006-52-2), with molecular formula C7H8N4S3 and molecular weight 243.99 g/mol. IUPAC: 1,3-dimethyl-7,9-dihydropurine-2,6,8-trithione.
Chemical Property Profile of 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione
Property Insights of 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione
The XLogP value of 2.36147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione. With a topological polar surface area (TPSA) of 41.44 Ų, 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione has 2 hydrogen bond donor(s) and 3 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 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione?
The CAS number of 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione is 2006-52-2.
What is the molecular formula of 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione?
The molecular formula of 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione is C7H8N4S3.
What is the molecular weight of 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione?
The molecular weight of 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione is 243.99 g/mol.
Where can I buy 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione?
You can request a quote for 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione?
Yes, KEHONG BIO provides custom synthesis services for 7,9-Dihydro-1,3-dimethyl-1H-purine-2,6,8(3H)-trithione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.