1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1)
TL;DR: 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1) (CAS 78865-85-7) is a chemical compound with molecular formula C19H42ClNO2S and molecular weight 383.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl-bis(2-hydroxyethyl)-(octylsulfanylmethyl)azanium chloride
Also Known As: Hexyl-bis(2-hydroxyethyl)-(octylsulfanylmethyl)azanium Chloride, 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1), hexyl-bis(2-hydroxyethyl)-(octylsulfanylmethyl)azanium,chloride, N,N-Bis(2-hydroxyethyl)-N-[(octylsulfanyl)methyl]hexan-1-aminium chloride
| Molecular Formula | C19H42ClNO2S |
|---|---|
| Molecular Weight | 383.26 g/mol |
| LogP | 1.42 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 383.26248 |
| Heavy Atoms | 24 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 78865-85-7 |
|---|---|
| SMILES | CCCCCCCCSC[N+](CCCCCC)(CCO)CCO.[Cl-] |
| InChIKey | LJXFSTOVEMGZKN-UHFFFAOYSA-M |
Product Overview
1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1) (CAS 78865-85-7), with molecular formula C19H42ClNO2S and molecular weight 383.26 g/mol. IUPAC: hexyl-bis(2-hydroxyethyl)-(octylsulfanylmethyl)azanium chloride.
Chemical Property Profile of 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1)
Property Insights of 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1)
The XLogP value of 1.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1). The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1). Following Lipinski's Rule of Five, 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1) 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 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1)?
The CAS number of 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1) is 78865-85-7.
What is the molecular formula of 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1)?
The molecular formula of 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1) is C19H42ClNO2S.
What is the molecular weight of 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1)?
The molecular weight of 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1) is 383.26 g/mol.
Where can I buy 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1)?
You can request a quote for 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexanaminium, N,N-bis(2-hydroxyethyl)-N-((octylthio)methyl)-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.