Caffeine, 8-((2-hydroxyethyl)thio)-
TL;DR: Caffeine, 8-((2-hydroxyethyl)thio)- (CAS 114864-92-5) is a chemical compound with molecular formula C10H14N4O3S and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxyethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
Also Known As: Pyridaben, 8-((2-Hydroxyethyl)thio)caffeine, CAFFEINE, 8-((2-HYDROXYETHYL)THIO)-, 4-26-00-02735 (Beilstein Handbook Reference), 8-(2-hydroxyethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione
| Molecular Formula | C10H14N4O3S |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.07867 |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 114864-92-5 |
|---|---|
| SMILES | CN1C2=C(N=C1SCCO)N(C(=O)N(C2=O)C)C |
| InChIKey | REVYYWXIURTZMT-UHFFFAOYSA-N |
Product Overview
Caffeine, 8-((2-hydroxyethyl)thio)- (CAS 114864-92-5), with molecular formula C10H14N4O3S and molecular weight 270.08 g/mol. IUPAC: 8-(2-hydroxyethylsulfanyl)-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of Caffeine, 8-((2-hydroxyethyl)thio)-
Property Insights of Caffeine, 8-((2-hydroxyethyl)thio)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Caffeine, 8-((2-hydroxyethyl)thio)-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Caffeine, 8-((2-hydroxyethyl)thio)-. Following Lipinski's Rule of Five, Caffeine, 8-((2-hydroxyethyl)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-hydroxyethyl)thio)-?
The CAS number of Caffeine, 8-((2-hydroxyethyl)thio)- is 114864-92-5.
What is the molecular formula of Caffeine, 8-((2-hydroxyethyl)thio)-?
The molecular formula of Caffeine, 8-((2-hydroxyethyl)thio)- is C10H14N4O3S.
What is the molecular weight of Caffeine, 8-((2-hydroxyethyl)thio)-?
The molecular weight of Caffeine, 8-((2-hydroxyethyl)thio)- is 270.08 g/mol.
Where can I buy Caffeine, 8-((2-hydroxyethyl)thio)-?
You can request a quote for Caffeine, 8-((2-hydroxyethyl)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-hydroxyethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Caffeine, 8-((2-hydroxyethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.