8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione (CAS 578760-91-5) is a chemical compound with molecular formula C14H15BrN6O2S and molecular weight 410.02 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-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione
Also Known As: 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, 8-bromo-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione, 8-bromo-1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-bromo-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-ylthio)ethyl]-1,3,7-trihydropur ine-2,6-dione, 8-BROMO-1,3-DIMETHYL-7-{2-[(4-METHYL-2-PYRIMIDINYL)SULFANYL]ETHYL}-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C14H15BrN6O2S |
|---|---|
| Molecular Weight | 410.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.01605 |
| Heavy Atoms | 24 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 578760-91-5 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCCN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C |
| InChIKey | GPZQSOIPSCWUGR-UHFFFAOYSA-N |
Product Overview
8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione (CAS 578760-91-5), with molecular formula C14H15BrN6O2S and molecular weight 410.02 g/mol. IUPAC: 8-bromo-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione.
Chemical Property Profile of 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-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-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione is 578760-91-5.
What is the molecular formula of 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione is C14H15BrN6O2S.
What is the molecular weight of 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione is 410.02 g/mol.
Where can I buy 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-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 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.