Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)-
TL;DR: Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)- (CAS 5819-57-8) is a chemical compound with molecular formula C17H29NO2S and molecular weight 311.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-2-octoxyphenyl)methylsulfanyl]ethanol
Also Known As: Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)-, 2-((5-Amino-4-(octyloxy)benzyl)thio)ethanol, 2-[(5-amino-2-octoxyphenyl)methylsulfanyl]ethanol, 2-[(3-Amino-4-octoxyphenyl)methylsulfanyl]ethanol, 2-{[5-amino-2-(octyloxy)benzyl]sulfanyl}ethanol
| Molecular Formula | C17H29NO2S |
|---|---|
| Molecular Weight | 311.19 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 311.1919 |
| Heavy Atoms | 21 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 5819-57-8 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)N)CSCCO |
| InChIKey | ORCHBLUZBVZPOF-UHFFFAOYSA-N |
Product Overview
Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)- (CAS 5819-57-8), with molecular formula C17H29NO2S and molecular weight 311.19 g/mol. IUPAC: 2-[(5-amino-2-octoxyphenyl)methylsulfanyl]ethanol.
Chemical Property Profile of Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)-
Property Insights of Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)-
The XLogP value of 4.4 indicates that Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)-. Following Lipinski's Rule of Five, Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)- has 2 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 Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)-?
The CAS number of Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)- is 5819-57-8.
What is the molecular formula of Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)-?
The molecular formula of Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)- is C17H29NO2S.
What is the molecular weight of Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)-?
The molecular weight of Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)- is 311.19 g/mol.
Where can I buy Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)-?
You can request a quote for Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-((5-amino-4-(octyloxy)benzyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.