1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-
TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)- (CAS 101072-11-1) is a chemical compound with molecular formula C12H9BrN4O3S and molecular weight 367.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3-methyl-7-(2-oxo-2-thiophen-2-ylethyl)purine-2,6-dione
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-, 8-Bromo-3,7-dihydro-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-1H-purine-2,6-dione, 8-bromo-3-methyl-7-(2-oxo-2-thiophen-2-ylethyl)purine-2,6-dione, 8-Bromo-3-methyl-7-[2-oxo-2-(thiophen-2-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione, BRN 5620880
| Molecular Formula | C12H9BrN4O3S |
|---|---|
| Molecular Weight | 367.96 g/mol |
| LogP | 1.1302 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.95786 |
| Heavy Atoms | 21 |
| Complexity | 951.437 |
Chemical Identifiers
| CAS Number | 101072-11-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)C3=CC=CS3 |
Product Overview
1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)- (CAS 101072-11-1), with molecular formula C12H9BrN4O3S and molecular weight 367.96 g/mol. IUPAC: 8-bromo-3-methyl-7-(2-oxo-2-thiophen-2-ylethyl)purine-2,6-dione.
Chemical Property Profile of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-
Property Insights of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-
The XLogP value of 1.1302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)- has 1 hydrogen bond donor(s) and 5 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 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-?
The CAS number of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)- is 101072-11-1.
What is the molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-?
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)- is C12H9BrN4O3S.
What is the molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-?
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)- is 367.96 g/mol.
Where can I buy 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-?
You can request a quote for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-3-methyl-7-(2-oxo-2-(2-thienyl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.