1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride
TL;DR: 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride (CAS 78865-90-4) is a chemical compound with molecular formula C27H58ClNO2S and molecular weight 495.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decylsulfanylmethyl-dodecyl-bis(2-hydroxyethyl)azanium chloride
Also Known As: 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride, N-((DECYLTHIO)METHYL)-N,N-BIS(2-HYDROXYETHYL)-*-, decylsulfanylmethyl-dodecyl-bis(2-hydroxyethyl)azanium chloride, N-[(decylsulfanyl)methyl]-N,N-bis(2-hydroxyethyl)dodecan-1-aminium chloride
| Molecular Formula | C27H58ClNO2S |
|---|---|
| Molecular Weight | 495.39 g/mol |
| LogP | 4.54 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Exact Mass | 495.38766 |
| Heavy Atoms | 32 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 78865-90-4 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+](CCO)(CCO)CSCCCCCCCCCC.[Cl-] |
| InChIKey | QMKLVGXSOSUSEH-UHFFFAOYSA-M |
Product Overview
1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride (CAS 78865-90-4), with molecular formula C27H58ClNO2S and molecular weight 495.39 g/mol. IUPAC: decylsulfanylmethyl-dodecyl-bis(2-hydroxyethyl)azanium chloride.
Chemical Property Profile of 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride
Property Insights of 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride
The XLogP value of 4.54 indicates that 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, 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-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride. Following Lipinski's Rule of Five, 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-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-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride?
The CAS number of 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride is 78865-90-4.
What is the molecular formula of 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride?
The molecular formula of 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride is C27H58ClNO2S.
What is the molecular weight of 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride?
The molecular weight of 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride is 495.39 g/mol.
Where can I buy 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride?
You can request a quote for 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-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-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Dodecanaminium, N-((decylthio)methyl)-N,N-bis(1-hydroxyethyl)-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.