8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 115294-81-0) is a chemical compound with molecular formula C9H11BrN4O3 and molecular weight 302.00146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-bromo-7-(3-hydroxypropyl)-3-methylpurine-2,6-dione
Also Known As: 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-bromo-7-(3-hydroxypropyl)-3-methylpurine-2,6-dione, 2,4,5-Trimethyl-2H-pyrazol-3-carbonsaeure, VU0222151-5, 8-bromo-7-(3-hydroxypropyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C9H11BrN4O3 |
| Molecular Weight | 302.00146 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 87.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.00146 Da |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCO |
| InChIKey | FANAKSKHVYKEMU-UHFFFAOYSA-N |
Chemical Property Profile of 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 4 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-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 115294-81-0.
What is the molecular formula of 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C9H11BrN4O3.
What is the molecular weight of 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 302.00146 g/mol.
Where can I buy 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-bromo-7-(3-hydroxypropyl)-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-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, CoreyChem provides custom synthesis services for 8-bromo-7-(3-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.