8-Chloroxanthine
TL;DR: 8-Chloroxanthine (CAS 13548-68-0) is a chemical compound with molecular formula C5H3ClN4O2 and molecular weight 185.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-3,7-dihydropurine-2,6-dione
Also Known As: 8-CHLOROXANTHINE, Xanthine, 8-chloro-, 8-Chloroxanthin, 8- Chloroxanthine, 8-chloro-Xanthine
| Molecular Formula | C5H3ClN4O2 |
|---|---|
| Molecular Weight | 185.99 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.99445 |
| Heavy Atoms | 12 |
| Complexity | 246.0 |
| Solubility | 0.167 mg/mL at 20 °C |
Chemical Identifiers
| CAS Number | 13548-68-0 |
|---|---|
| SMILES | C12=C(NC(=O)NC1=O)N=C(N2)Cl |
| InChIKey | OZPCWWUKRLUQSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Chloroxanthine (CAS 13548-68-0), with molecular formula C5H3ClN4O2 and molecular weight 185.99 g/mol. IUPAC: 8-chloro-3,7-dihydropurine-2,6-dione.
Chemical Property Profile of 8-Chloroxanthine
Property Insights of 8-Chloroxanthine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloroxanthine. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Chloroxanthine. Following Lipinski's Rule of Five, 8-Chloroxanthine has 3 hydrogen bond donor(s) and 3 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-Chloroxanthine?
The CAS number of 8-Chloroxanthine is 13548-68-0.
What is the molecular formula of 8-Chloroxanthine?
The molecular formula of 8-Chloroxanthine is C5H3ClN4O2.
What is the molecular weight of 8-Chloroxanthine?
The molecular weight of 8-Chloroxanthine is 185.99 g/mol.
Where can I buy 8-Chloroxanthine?
You can request a quote for 8-Chloroxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloroxanthine?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloroxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.