8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 115415-41-3) is a chemical compound with molecular formula C8H8BrClN4O2 and molecular weight 305.95193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-bromo-7-(2-chloroethyl)-3-methylpurine-2,6-dione
Also Known As: 8-bromo-7-(2-chloroethyl)-3-methylpurine-2,6-dione, BAS 00288265, 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-bromo-7-(2-chloroethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, VU0510982-1
Technical Specifications
| Molecular Formula | C8H8BrClN4O2 |
| Molecular Weight | 305.95193 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.95193 Da |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCl |
| InChIKey | ZNVNYZWBMCOPOE-UHFFFAOYSA-N |
Chemical Property Profile of 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 115415-41-3.
What is the molecular formula of 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C8H8BrClN4O2.
What is the molecular weight of 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 305.95193 g/mol.
Where can I buy 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, CoreyChem provides custom synthesis services for 8-bromo-7-(2-chloroethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.