8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 369404-08-0) is a chemical compound with molecular formula C22H20ClFN4O2S and molecular weight 458.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, AB00673532-01, F1167-0090, 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione, 8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C22H20ClFN4O2S |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 3.87522 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.09796 |
| Heavy Atoms | 31 |
| Complexity | 1403.5315 |
Chemical Identifiers
| CAS Number | 369404-08-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCC4=C(C=CC=C4Cl)F)N(C(=O)N(C3=O)C)C |
Product Overview
8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 369404-08-0), with molecular formula C22H20ClFN4O2S and molecular weight 458.10 g/mol. IUPAC: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.87522 indicates that 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-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-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-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-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 369404-08-0.
What is the molecular formula of 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is C22H20ClFN4O2S.
What is the molecular weight of 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 458.10 g/mol.
Where can I buy 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-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-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((2-chloro-6-fluorobenzyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.