1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride
TL;DR: 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride (CAS 78865-89-1) is a chemical compound with molecular formula C25H54ClNO2S and molecular weight 467.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl-bis(2-hydroxyethyl)-(octylsulfanylmethyl)azanium chloride
Also Known As: 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride, N,N-BIS(2-HYDROXYETHYL)-N-((OCTYLTHIO)METHYL)-*-, dodecyl-bis(2-hydroxyethyl)-(octylsulfanylmethyl)azanium chloride, N,N-bis(2-hydroxyethyl)-N-[(octylsulfanyl)methyl]dodecan-1-aminium chloride
| Molecular Formula | C25H54ClNO2S |
|---|---|
| Molecular Weight | 467.36 g/mol |
| LogP | 3.76 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 24 |
| Exact Mass | 467.35638 |
| Heavy Atoms | 30 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 78865-89-1 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+](CCO)(CCO)CSCCCCCCCC.[Cl-] |
| InChIKey | YCPMTCSBPJPBCC-UHFFFAOYSA-M |
Product Overview
1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride (CAS 78865-89-1), with molecular formula C25H54ClNO2S and molecular weight 467.36 g/mol. IUPAC: dodecyl-bis(2-hydroxyethyl)-(octylsulfanylmethyl)azanium chloride.
Chemical Property Profile of 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride
Property Insights of 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride
The XLogP value of 3.76 indicates that 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride. Following Lipinski's Rule of Five, 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, 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-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride?
The CAS number of 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride is 78865-89-1.
What is the molecular formula of 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride?
The molecular formula of 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride is C25H54ClNO2S.
What is the molecular weight of 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride?
The molecular weight of 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride is 467.36 g/mol.
Where can I buy 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride?
You can request a quote for 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Dodecanaminium, N,N-bis(2-hydoxyethyl)-N-((octylthio)methyl)-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.