8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
TL;DR: 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione (CAS 313530-94-8) is a chemical compound with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: BAS 00288337, VU0281338-2, 8-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione, 8-(1,3-benzoxazol-2-ylthio)-7-isoamyl-3-methyl-xanthine, 8-(Benzooxazol-2-ylsulfanyl)-3-methyl-7-(3-methyl-butyl)-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C18H19N5O3S |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 2.7618 |
| Topological Polar Surface Area | 98.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.12085 |
| Heavy Atoms | 27 |
| Complexity | 1214.575 |
Chemical Identifiers
| CAS Number | 313530-94-8 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SC3=NC4=CC=CC=C4O3)N(C(=O)NC2=O)C |
Product Overview
8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione (CAS 313530-94-8), with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol. IUPAC: 8-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Property Insights of 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione
The XLogP value of 2.7618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione. The TPSA of 98.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)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 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione?
The CAS number of 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione is 313530-94-8.
What is the molecular formula of 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione?
The molecular formula of 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione is C18H19N5O3S.
What is the molecular weight of 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione?
The molecular weight of 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione is 385.12 g/mol.
Where can I buy 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione?
You can request a quote for 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)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-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(1,3-Benzoxazol-2-ylsulfanyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.