1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt
TL;DR: 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt (CAS 114474-59-8) is a chemical compound with molecular formula C18H37NO4 and molecular weight 331.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[dodecyl-bis(2-hydroxyethyl)azaniumyl]acetate
Also Known As: alpha-(2-9)-Disialic acid, KST-1A9926, 2-[dodecyl-bis(2-hydroxyethyl)azaniumyl]acetate, N-Dodecyl-N,N-diethanolamine betaine, {dodecyl[bis(2-hydroxyethyl)]ammonio}acetate
| Molecular Formula | C18H37NO4 |
|---|---|
| Molecular Weight | 331.27 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 331.27225 |
| Heavy Atoms | 23 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 114474-59-8 |
|---|---|
| SMILES | CCCCCCCCCCCC[N+](CCO)(CCO)CC(=O)[O-] |
| InChIKey | WAVWYAPTRAYBDH-UHFFFAOYSA-N |
Product Overview
1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt (CAS 114474-59-8), with molecular formula C18H37NO4 and molecular weight 331.27 g/mol. IUPAC: 2-[dodecyl-bis(2-hydroxyethyl)azaniumyl]acetate.
Chemical Property Profile of 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt
Property Insights of 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt
The XLogP value of 4.7 indicates that 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt. Following Lipinski's Rule of Five, 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt 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-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt?
The CAS number of 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt is 114474-59-8.
What is the molecular formula of 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt?
The molecular formula of 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt is C18H37NO4.
What is the molecular weight of 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt?
The molecular weight of 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt is 331.27 g/mol.
Where can I buy 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt?
You can request a quote for 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, 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-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 1-Dodecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.