8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 303971-20-2) is a chemical compound with molecular formula C21H19ClN4O2S and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzylsulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 00732959, BRD-K03108423-001-04-4, 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 8-benzylsulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-(benzylthio)-7-(4-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H19ClN4O2S |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 3.4277 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.09174 |
| Heavy Atoms | 29 |
| Complexity | 1290.9982 |
Chemical Identifiers
| CAS Number | 303971-20-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=C(C=C4)Cl |
Product Overview
8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 303971-20-2), with molecular formula C21H19ClN4O2S and molecular weight 426.09 g/mol. IUPAC: 8-benzylsulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 3.4277 indicates that 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-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-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 303971-20-2.
What is the molecular formula of 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is C21H19ClN4O2S.
What is the molecular weight of 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 426.09 g/mol.
Where can I buy 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-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-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Benzylsulfanyl-7-(4-chloro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.