7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 371780-75-5) 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.
7-butyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione
Also Known As: 7-butyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione, AB00667666-01, 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione, F0373-0822, 7-butyl-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C13H18N4O3S |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 0.9045 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.10995 |
| Heavy Atoms | 21 |
| Complexity | 787.0359 |
Chemical Identifiers
| CAS Number | 371780-75-5 |
|---|---|
| SMILES | CCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C |
Product Overview
7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 371780-75-5), with molecular formula C13H18N4O3S and molecular weight 310.11 g/mol. IUPAC: 7-butyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.9045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-butyl-3-methyl-8-((2-oxopropyl)thio)-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 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione is 371780-75-5.
What is the molecular formula of 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione is C13H18N4O3S.
What is the molecular weight of 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione is 310.11 g/mol.
Where can I buy 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-butyl-3-methyl-8-((2-oxopropyl)thio)-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 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-butyl-3-methyl-8-((2-oxopropyl)thio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.