8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione
TL;DR: 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione (CAS 123980-55-2) is a chemical compound with molecular formula C12H17BrN4O2 and molecular weight 328.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-hexyl-3-methylpurine-2,6-dione
Also Known As: 8-bromo-7-hexyl-3-methylpurine-2,6-dione, 8-bromo-7-hexyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-bromo-7-(n-hexyl)-3-methylxanthine, BAS 00162573, 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione
| Molecular Formula | C12H17BrN4O2 |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 1.7661 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.0535 |
| Heavy Atoms | 19 |
| Complexity | 698.0429 |
Chemical Identifiers
| CAS Number | 123980-55-2 |
|---|---|
| SMILES | CCCCCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C |
Product Overview
8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione (CAS 123980-55-2), with molecular formula C12H17BrN4O2 and molecular weight 328.05 g/mol. IUPAC: 8-bromo-7-hexyl-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione
Property Insights of 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione
The XLogP value of 1.7661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-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
Frequently Asked Questions
What is the CAS number of 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione?
The CAS number of 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione is 123980-55-2.
What is the molecular formula of 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione?
The molecular formula of 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione is C12H17BrN4O2.
What is the molecular weight of 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione?
The molecular weight of 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione is 328.05 g/mol.
Where can I buy 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione?
You can request a quote for 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-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-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-Bromo-7-hexyl-3,7-dihydro-3-methyl-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.