8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 101072-19-9) is a chemical compound with molecular formula C13H19BrN4O4 and molecular weight 374.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00387051, 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methylpurine-2,6-dione, 8-Bromo-3-methyl-7-(2-oxo-2-phenyl-ethyl)-3,7-dihydro-purine-2,6-dione, 8-Bromo-7-(3-butoxy-2-hydroxy-propyl)-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C13H19BrN4O4 |
|---|---|
| Molecular Weight | 374.06 g/mol |
| LogP | 0.3634 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.05896 |
| Heavy Atoms | 22 |
| Complexity | 763.7115 |
Chemical Identifiers
| CAS Number | 101072-19-9 |
|---|---|
| SMILES | CCCCOCC(CN1C2=C(N=C1Br)N(C(=O)NC2=O)C)O |
Product Overview
8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 101072-19-9), with molecular formula C13H19BrN4O4 and molecular weight 374.06 g/mol. IUPAC: 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.3634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 2 hydrogen bond donor(s) and 5 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-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 101072-19-9.
What is the molecular formula of 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C13H19BrN4O4.
What is the molecular weight of 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 374.06 g/mol.
Where can I buy 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-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-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-7-(3-butoxy-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.