3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate
TL;DR: 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate (CAS 128917-83-9) is a chemical compound with molecular formula C22H47NO4S and molecular weight 421.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate
Also Known As: ZT 1, 3-(decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate, ZT1, 1-Decanaminium, N-(2-hydroxy-3-sulfopropyl)-N-methyl-N-octyl-, inner salt
| Molecular Formula | C22H47NO4S |
|---|---|
| Molecular Weight | 421.32 g/mol |
| LogP | 4.8403 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 421.32257 |
| Heavy Atoms | 28 |
| Complexity | 455.4531 |
Chemical Identifiers
| CAS Number | 128917-83-9 |
|---|---|
| SMILES | CCCCCCCCCC[N+](C)(CCCCCCCC)CC(CS(=O)(=O)[O-])O |
Product Overview
3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate (CAS 128917-83-9), with molecular formula C22H47NO4S and molecular weight 421.32 g/mol. IUPAC: 3-(decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate.
Chemical Property Profile of 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate
Property Insights of 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate
The XLogP value of 4.8403 indicates that 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate. Following Lipinski's Rule of Five, 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate has 1 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 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate?
The CAS number of 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate is 128917-83-9.
What is the molecular formula of 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate?
The molecular formula of 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate is C22H47NO4S.
What is the molecular weight of 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate?
The molecular weight of 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate is 421.32 g/mol.
Where can I buy 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate?
You can request a quote for 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.