1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride
TL;DR: 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride (CAS 78865-87-9) is a chemical compound with molecular formula C23H50ClNO2S and molecular weight 439.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecylsulfanylmethyl-hexyl-bis(2-hydroxyethyl)azanium chloride
Also Known As: 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride, N-((DODECYLTHIO)METHYL)-N,N-BIS(2-HYDROXYETHYL)*, dodecylsulfanylmethyl-hexyl-bis(2-hydroxyethyl)azanium chloride, dodecylsulfanylmethyl-hexyl-bis(2-hydroxyethyl)azanium,chloride, N-[(Dodecylsulfanyl)methyl]-N,N-bis(2-hydroxyethyl)hexan-1-aminium chloride
| Molecular Formula | C23H50ClNO2S |
|---|---|
| Molecular Weight | 439.33 g/mol |
| LogP | 2.98 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 439.32507 |
| Heavy Atoms | 28 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 78865-87-9 |
|---|---|
| SMILES | CCCCCCCCCCCCSC[N+](CCCCCC)(CCO)CCO.[Cl-] |
| InChIKey | NHHUWJHEAMVCMO-UHFFFAOYSA-M |
Product Overview
1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride (CAS 78865-87-9), with molecular formula C23H50ClNO2S and molecular weight 439.33 g/mol. IUPAC: dodecylsulfanylmethyl-hexyl-bis(2-hydroxyethyl)azanium chloride.
Chemical Property Profile of 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride
Property Insights of 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride
The XLogP value of 2.98 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride. Following Lipinski's Rule of Five, 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride 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-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride?
The CAS number of 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride is 78865-87-9.
What is the molecular formula of 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride?
The molecular formula of 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride is C23H50ClNO2S.
What is the molecular weight of 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride?
The molecular weight of 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride is 439.33 g/mol.
Where can I buy 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride?
You can request a quote for 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride 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-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexanaminium, N-((dodecylthio)methyl)-N,N-bis(2-hydroxyethyl)-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.