Caffeine, 8-((2-aminoethyl)thio)-
TL;DR: Caffeine, 8-((2-aminoethyl)thio)- (CAS 6493-24-9) is a chemical compound with molecular formula C10H15N5O2S and molecular weight 269.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-((2-Aminoethyl)thio)caffeine, CAFFEINE, 8-((2-AMINOETHYL)THIO)-, 4-26-00-02736 (Beilstein Handbook Reference), CAFFEINE,8-((2-AMINOETHYL)THIO), 8-(2-aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
| Molecular Formula | C10H15N5O2S |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.09464 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 6493-24-9 |
|---|---|
| SMILES | CN1C2=C(N=C1SCCN)N(C(=O)N(C2=O)C)C |
| InChIKey | FUOYEJAXPJNZTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Caffeine, 8-((2-aminoethyl)thio)- (CAS 6493-24-9), with molecular formula C10H15N5O2S and molecular weight 269.09 g/mol. IUPAC: 8-(2-aminoethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Caffeine, 8-((2-aminoethyl)thio)-
Property Insights of Caffeine, 8-((2-aminoethyl)thio)-
The XLogP value of -0.2 indicates that Caffeine, 8-((2-aminoethyl)thio)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Caffeine, 8-((2-aminoethyl)thio)-. Following Lipinski's Rule of Five, Caffeine, 8-((2-aminoethyl)thio)- 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 Caffeine, 8-((2-aminoethyl)thio)-?
The CAS number of Caffeine, 8-((2-aminoethyl)thio)- is 6493-24-9.
What is the molecular formula of Caffeine, 8-((2-aminoethyl)thio)-?
The molecular formula of Caffeine, 8-((2-aminoethyl)thio)- is C10H15N5O2S.
What is the molecular weight of Caffeine, 8-((2-aminoethyl)thio)-?
The molecular weight of Caffeine, 8-((2-aminoethyl)thio)- is 269.09 g/mol.
Where can I buy Caffeine, 8-((2-aminoethyl)thio)-?
You can request a quote for Caffeine, 8-((2-aminoethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caffeine, 8-((2-aminoethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Caffeine, 8-((2-aminoethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.