7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione
TL;DR: 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione (CAS 303972-92-1) is a chemical compound with molecular formula C15H12BrN5O3S and molecular weight 420.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-bromo-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5732445:001, VU0218443-5, 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-8-bromo-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-(2-benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione, 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-bromo-3-methylpurine-2,6-dione
| Molecular Formula | C15H12BrN5O3S |
|---|---|
| Molecular Weight | 420.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.9844 |
| Heavy Atoms | 25 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 303972-92-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCSC3=NC4=CC=CC=C4O3 |
| InChIKey | VILABJCYBMFSLL-UHFFFAOYSA-N |
Product Overview
7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione (CAS 303972-92-1), with molecular formula C15H12BrN5O3S and molecular weight 420.98 g/mol. IUPAC: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-bromo-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione
Property Insights of 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione. Following Lipinski's Rule of Five, 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-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-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione?
The CAS number of 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione is 303972-92-1.
What is the molecular formula of 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione?
The molecular formula of 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione is C15H12BrN5O3S.
What is the molecular weight of 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione?
The molecular weight of 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione is 420.98 g/mol.
Where can I buy 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione?
You can request a quote for 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-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-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.