8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 476482-22-1) is a chemical compound with molecular formula C13H13BrN6O2S and molecular weight 396.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5730366:001, 8-bromo-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione, 8-bromo-1,3-dimethyl-7-[2-(2-pyrimidylthio)ethyl]xanthine, 8-Bromo-1,3-dimethyl-7-(2-(pyrimidin-2-ylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione, 8-bromanyl-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione
| Molecular Formula | C13H13BrN6O2S |
|---|---|
| Molecular Weight | 396.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.0004 |
| Heavy Atoms | 23 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 476482-22-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCSC3=NC=CC=N3 |
| InChIKey | FMCLRLBGHRLAME-UHFFFAOYSA-N |
Product Overview
8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 476482-22-1), with molecular formula C13H13BrN6O2S and molecular weight 396.00 g/mol. IUPAC: 8-bromo-1,3-dimethyl-7-(2-pyrimidin-2-ylsulfanylethyl)purine-2,6-dione.
Chemical Property Profile of 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 6 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-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione is 476482-22-1.
What is the molecular formula of 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione is C13H13BrN6O2S.
What is the molecular weight of 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione is 396.00 g/mol.
Where can I buy 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-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-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-BR-1,3-Dimethyl-7-(2-(2-pyrimidinylthio)ethyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.