Xanthine, 8-(heptylthio)-
TL;DR: Xanthine, 8-(heptylthio)- (CAS 73840-30-9) is a chemical compound with molecular formula C12H18N4O2S and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-heptylsulfanyl-3,7-dihydropurine-2,6-dione
Also Known As: 8-(Heptylthio)xanthine, Xanthine, 8-(heptylthio)-, NCIOpen2_004235, 8-heptylsulfanyl-3,7-dihydropurine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-8-(heptylthio)-
| Molecular Formula | C12H18N4O2S |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 2.002 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.11505 |
| Heavy Atoms | 19 |
| Complexity | 642.9522 |
Chemical Identifiers
| CAS Number | 73840-30-9 |
|---|---|
| SMILES | CCCCCCCSC1=NC2=C(N1)C(=O)NC(=O)N2 |
Product Overview
Xanthine, 8-(heptylthio)- (CAS 73840-30-9), with molecular formula C12H18N4O2S and molecular weight 282.12 g/mol. IUPAC: 8-heptylsulfanyl-3,7-dihydropurine-2,6-dione.
Chemical Property Profile of Xanthine, 8-(heptylthio)-
Property Insights of Xanthine, 8-(heptylthio)-
The XLogP value of 2.002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthine, 8-(heptylthio)-. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthine, 8-(heptylthio)-. Following Lipinski's Rule of Five, Xanthine, 8-(heptylthio)- 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 Xanthine, 8-(heptylthio)-?
The CAS number of Xanthine, 8-(heptylthio)- is 73840-30-9.
What is the molecular formula of Xanthine, 8-(heptylthio)-?
The molecular formula of Xanthine, 8-(heptylthio)- is C12H18N4O2S.
What is the molecular weight of Xanthine, 8-(heptylthio)-?
The molecular weight of Xanthine, 8-(heptylthio)- is 282.12 g/mol.
Where can I buy Xanthine, 8-(heptylthio)-?
You can request a quote for Xanthine, 8-(heptylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthine, 8-(heptylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Xanthine, 8-(heptylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.