8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 39140-86-8) is a chemical compound with molecular formula C13H18N4O3S and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,3-dimethyl-2-oxobutyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: F0017-0015, 8-(3,3-dimethyl-2-oxobutyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione, 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C13H18N4O3S |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 0.6676 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.10995 |
| Heavy Atoms | 21 |
| Complexity | 822.7698 |
Chemical Identifiers
| CAS Number | 39140-86-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
Product Overview
8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 39140-86-8), with molecular formula C13H18N4O3S and molecular weight 310.11 g/mol. IUPAC: 8-(3,3-dimethyl-2-oxobutyl)sulfanyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.6676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-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-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 39140-86-8.
What is the molecular formula of 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C13H18N4O3S.
What is the molecular weight of 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 310.11 g/mol.
Where can I buy 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((3,3-dimethyl-2-oxobutyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.