8-(Butylthio)xanthine
TL;DR: 8-(Butylthio)xanthine (CAS 73840-28-5) is a chemical compound with molecular formula C9H12N4O2S and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butylsulfanyl-3,7-dihydropurine-2,6-dione
Also Known As: 8-(Butylthio)xanthine, Xanthine, 8-(butylthio)-, NCIOpen2_004355, 1H-Purine-2,6-dione, 8-(butylthio)-3,7-dihydro-, 8-(Butylthio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C9H12N4O2S |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.0681 |
| Heavy Atoms | 16 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 73840-28-5 |
|---|---|
| SMILES | CCCCSC1=NC2=C(N1)C(=O)NC(=O)N2 |
| InChIKey | FHSDDYQZPCCDJS-UHFFFAOYSA-N |
Product Overview
8-(Butylthio)xanthine (CAS 73840-28-5), with molecular formula C9H12N4O2S and molecular weight 240.07 g/mol. IUPAC: 8-butylsulfanyl-3,7-dihydropurine-2,6-dione.
Chemical Property Profile of 8-(Butylthio)xanthine
Property Insights of 8-(Butylthio)xanthine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Butylthio)xanthine. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Butylthio)xanthine. Following Lipinski's Rule of Five, 8-(Butylthio)xanthine has 3 hydrogen bond donor(s) and 4 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-(Butylthio)xanthine?
The CAS number of 8-(Butylthio)xanthine is 73840-28-5.
What is the molecular formula of 8-(Butylthio)xanthine?
The molecular formula of 8-(Butylthio)xanthine is C9H12N4O2S.
What is the molecular weight of 8-(Butylthio)xanthine?
The molecular weight of 8-(Butylthio)xanthine is 240.07 g/mol.
Where can I buy 8-(Butylthio)xanthine?
You can request a quote for 8-(Butylthio)xanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Butylthio)xanthine?
Yes, KEHONG BIO provides custom synthesis services for 8-(Butylthio)xanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.