![7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/303/303972-90-9.png)
7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 303972-90-9) is a chemical compound with molecular formula C17H16BrN5O3S and molecular weight 449.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methylpurine-2,6-dione
Also Known As: 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-(4-(benzo[d]oxazol-2-ylthio)butyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methylpurine-2,6-dione
| Molecular Formula | C17H16BrN5O3S |
|---|---|
| Molecular Weight | 449.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.01572 |
| Heavy Atoms | 27 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 303972-90-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCCCSC3=NC4=CC=CC=C4O3 |
| InChIKey | YIGXLOXFEAYUIR-UHFFFAOYSA-N |
Product Overview
7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione (CAS 303972-90-9), with molecular formula C17H16BrN5O3S and molecular weight 449.02 g/mol. IUPAC: 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.4 indicates that 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione has 1 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 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 303972-90-9.
What is the molecular formula of 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione is C17H16BrN5O3S.
What is the molecular weight of 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione is 449.02 g/mol.
Where can I buy 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-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 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[4-(1,3-benzoxazol-2-ylsulfanyl)butyl]-8-bromo-3-methyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.