7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 313274-04-3) is a chemical compound with molecular formula C16H17BrN4O2S and molecular weight 408.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-bromophenyl)methyl]-3-methyl-8-propylsulfanylpurine-2,6-dione
Also Known As: AB01278645-01, 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione, 7-(3-bromobenzyl)-3-methyl-8-(propylthio)-1H-purine-2,6(3H,7H)-dione, 7-[(3-bromophenyl)methyl]-3-methyl-8-propylsulfanylpurine-2,6-dione
| Molecular Formula | C16H17BrN4O2S |
|---|---|
| Molecular Weight | 408.03 g/mol |
| LogP | 2.7362 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.02557 |
| Heavy Atoms | 24 |
| Complexity | 1005.4606 |
Chemical Identifiers
| CAS Number | 313274-04-3 |
|---|---|
| SMILES | CCCSC1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C |
Product Overview
7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 313274-04-3), with molecular formula C16H17BrN4O2S and molecular weight 408.03 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-3-methyl-8-propylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.7362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione has 1 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 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione is 313274-04-3.
What is the molecular formula of 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione is C16H17BrN4O2S.
What is the molecular weight of 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione is 408.03 g/mol.
Where can I buy 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-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 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-bromobenzyl)-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.