8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 326919-10-2) is a chemical compound with molecular formula C14H13BrN4O2S and molecular weight 379.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(3-bromophenyl)methylsulfanyl]-3,7-dimethylpurine-2,6-dione
Also Known As: BAS 00491904, 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione, 8-[(3-bromobenzyl)sulfanyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-((3-bromobenzyl)thio)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(3-bromophenyl)methylsulfanyl]-3,7-dimethylpurine-2,6-dione
| Molecular Formula | C14H13BrN4O2S |
|---|---|
| Molecular Weight | 379.99 g/mol |
| LogP | 2.0151 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.99426 |
| Heavy Atoms | 22 |
| Complexity | 973.1138 |
Chemical Identifiers
| CAS Number | 326919-10-2 |
|---|---|
| SMILES | CN1C2=C(N=C1SCC3=CC(=CC=C3)Br)N(C(=O)NC2=O)C |
Product Overview
8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 326919-10-2), with molecular formula C14H13BrN4O2S and molecular weight 379.99 g/mol. IUPAC: 8-[(3-bromophenyl)methylsulfanyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 2.0151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-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-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione is 326919-10-2.
What is the molecular formula of 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione is C14H13BrN4O2S.
What is the molecular weight of 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione is 379.99 g/mol.
Where can I buy 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-(3-Bromo-benzylsulfanyl)-3,7-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-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3-Bromo-benzylsulfanyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.