8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 681835-32-5) is a chemical compound with molecular formula C16H17IN4O2S and molecular weight 456.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethylsulfanyl-7-[(3-iodophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: A3043/0128469, 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-ethylsulfanyl-7-[(3-iodophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-(Ethylsulfanyl)-7-[(3-iodophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(Ethylthio)-3,7-dihydro-7-[(3-iodophenyl)methyl]-1,3-dimethyl-1H-purine-2,6-dione
| Molecular Formula | C16H17IN4O2S |
|---|---|
| Molecular Weight | 456.01 g/mol |
| LogP | 2.1986 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.0117 |
| Heavy Atoms | 24 |
| Complexity | 1034.9591 |
Chemical Identifiers
| CAS Number | 681835-32-5 |
|---|---|
| SMILES | CCSC1=NC2=C(N1CC3=CC(=CC=C3)I)C(=O)N(C(=O)N2C)C |
Product Overview
8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 681835-32-5), with molecular formula C16H17IN4O2S and molecular weight 456.01 g/mol. IUPAC: 8-ethylsulfanyl-7-[(3-iodophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.1986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 4 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-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 681835-32-5.
What is the molecular formula of 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C16H17IN4O2S.
What is the molecular weight of 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 456.01 g/mol.
Where can I buy 8-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(ethylsulfanyl)-7-(3-iodobenzyl)-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-(ethylsulfanyl)-7-(3-iodobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(ethylsulfanyl)-7-(3-iodobenzyl)-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.