![8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione structure](/static/products/3260/326009-59-0.webp)
8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
TL;DR: 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione (CAS 326009-59-0) is a chemical compound with molecular formula C19H22N4O3S and molecular weight 386.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: F0909-0342, 8-((2-(4-(tert-butyl)phenyl)-2-oxoethyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione, 8-{[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C19H22N4O3S |
|---|---|
| Molecular Weight | 386.14 g/mol |
| LogP | 2.2328 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.14127 |
| Heavy Atoms | 27 |
| Complexity | 1131.1919 |
Chemical Identifiers
| CAS Number | 326009-59-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C |
Product Overview
8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione (CAS 326009-59-0), with molecular formula C19H22N4O3S and molecular weight 386.14 g/mol. IUPAC: 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Property Insights of 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
The XLogP value of 2.2328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione has 1 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-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione?
The CAS number of 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione is 326009-59-0.
What is the molecular formula of 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione?
The molecular formula of 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione is C19H22N4O3S.
What is the molecular weight of 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione?
The molecular weight of 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione is 386.14 g/mol.
Where can I buy 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione?
You can request a quote for 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-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-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.