![8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/370/370840-00-9.png)
8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 370840-00-9) is a chemical compound with molecular formula C16H16BrClN4O2S and molecular weight 441.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-bromopropylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-((3-bromopropyl)thio)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(3-bromopropylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione, 8-(3-bromopropylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione, 8-[(3-bromopropyl)sulfanyl]-7-[(2-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H16BrClN4O2S |
|---|---|
| Molecular Weight | 441.99 g/mol |
| LogP | 3.0021 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.9866 |
| Heavy Atoms | 25 |
| Complexity | 1027.1271 |
Chemical Identifiers
| CAS Number | 370840-00-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCBr)CC3=CC=CC=C3Cl |
Product Overview
8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 370840-00-9), with molecular formula C16H16BrClN4O2S and molecular weight 441.99 g/mol. IUPAC: 8-(3-bromopropylsulfanyl)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.0021 indicates that 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-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 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 370840-00-9.
What is the molecular formula of 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C16H16BrClN4O2S.
What is the molecular weight of 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 441.99 g/mol.
Where can I buy 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-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-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(3-bromopropyl)sulfanyl]-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.