1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt
TL;DR: 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt (CAS 65059-97-4) is a chemical compound with molecular formula C21H43NO2 and molecular weight 341.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[heptadecyl(dimethyl)azaniumyl]acetate
Also Known As: [Heptadecyldi(methyl)azaniumyl]acetate|2-(heptadecyldimethylazaniumyl)acetate|2-[heptadecyl(dimethyl)azaniumyl]acetate|1-Heptadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt|(Carboxymethyl)heptadecyldimethylammonium, hydroxide, inner salt|N-(Carboxylatomethyl)-N,N-dimethyl-1-heptadecanaminium|1-Heptadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, hydroxide, inner salt|RefChem:75847|DTXCID1044439|DPKSVOCGPSFPPK-UHFFFAOYSA-N
| Molecular Formula | C21H43NO2 |
|---|---|
| Molecular Weight | 341.33 g/mol |
| LogP | 4.6841 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 341.32938 |
| Heavy Atoms | 24 |
| Complexity | 289.56332 |
Chemical Identifiers
| CAS Number | 65059-97-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] |
Product Overview
1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt (CAS 65059-97-4), with molecular formula C21H43NO2 and molecular weight 341.33 g/mol. IUPAC: 2-[heptadecyl(dimethyl)azaniumyl]acetate.
Chemical Property Profile of 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt
Property Insights of 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt
The XLogP value of 4.6841 indicates that 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.13 Ų, 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt has 0 hydrogen bond donor(s) and 2 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-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt?
The CAS number of 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt is 65059-97-4.
What is the molecular formula of 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt?
The molecular formula of 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt is C21H43NO2.
What is the molecular weight of 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt?
The molecular weight of 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt is 341.33 g/mol.
Where can I buy 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt?
You can request a quote for 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 1-heptadecanaminium, n-(carboxymethyl)-n,n-dimethyl-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.