7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 324539-36-8) is a chemical compound with molecular formula C13H11BrN4O2S and molecular weight 365.98 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-sulfanylidene-9H-purine-2,6-dione
Also Known As: ChemDiv1_000646, 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione, F0900-4139, 7-[(3-bromophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione, 7-[(3-bromophenyl)methyl]-3-methyl-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C13H11BrN4O2S |
|---|---|
| Molecular Weight | 365.98 g/mol |
| LogP | 1.89669 |
| Topological Polar Surface Area | 75.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 365.9786 |
| Heavy Atoms | 21 |
| Complexity | 1011.40875 |
Chemical Identifiers
| CAS Number | 324539-36-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC3=CC(=CC=C3)Br |
Product Overview
7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 324539-36-8), with molecular formula C13H11BrN4O2S and molecular weight 365.98 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione.
Chemical Property Profile of 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.89669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 75.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 3 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)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione is 324539-36-8.
What is the molecular formula of 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione is C13H11BrN4O2S.
What is the molecular weight of 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione is 365.98 g/mol.
Where can I buy 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(3-bromobenzyl)-8-mercapto-3-methyl-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 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-bromobenzyl)-8-mercapto-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.