![8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/847/847572-70-7.png)
8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 847572-70-7) is a chemical compound with molecular formula C15H16ClN5O2S and molecular weight 365.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(4-chlorophenyl)sulfanylethylamino]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[2-(4-chlorophenyl)sulfanylethylamino]-1,3-dimethyl-7H-purine-2,6-dione, 8-((2-((4-chlorophenyl)thio)ethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-({2-[(4-chlorophenyl)thio]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-{[2-(4-chlorophenylthio)ethyl]amino}-1,3-dimethyl-1,3,7-trihydropurine-2,6-d ione
| Molecular Formula | C15H16ClN5O2S |
|---|---|
| Molecular Weight | 365.07 g/mol |
| LogP | 1.8179 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.07132 |
| Heavy Atoms | 24 |
| Complexity | 989.99756 |
Chemical Identifiers
| CAS Number | 847572-70-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCSC3=CC=C(C=C3)Cl |
Product Overview
8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 847572-70-7), with molecular formula C15H16ClN5O2S and molecular weight 365.07 g/mol. IUPAC: 8-[2-(4-chlorophenyl)sulfanylethylamino]-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.8179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 2 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 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 847572-70-7.
What is the molecular formula of 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C15H16ClN5O2S.
What is the molecular weight of 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 365.07 g/mol.
Where can I buy 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-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 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.