2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium
TL;DR: 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium (CAS 59514-07-7) is a chemical compound with molecular formula C[N+](C)(C)NCCC(=O)O and molecular weight 147.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-carboxyethylamino)-trimethylazanium
Also Known As: Mildronate, Meldonium, C6H15N2O2+, s4130, (2-carboxyethylamino)-trimethylazanium
| Molecular Formula | C[N+](C)(C)NCCC(=O)O |
|---|---|
| Molecular Weight | 147.11 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 147.11336 |
| Heavy Atoms | 10 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 59514-07-7 |
|---|---|
| SMILES | C[N+](C)(C)NCCC(=O)O |
| InChIKey | PVBQYTCFVWZSJK-UHFFFAOYSA-O |
Product Overview
2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium (CAS 59514-07-7), with molecular formula C[N+](C)(C)NCCC(=O)O and molecular weight 147.11 g/mol. IUPAC: (2-carboxyethylamino)-trimethylazanium.
Chemical Property Profile of 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium
Property Insights of 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium
The XLogP value of -2.7 indicates that 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium has 2 hydrogen bond donor(s) and 3 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 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium?
The CAS number of 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium is 59514-07-7.
What is the molecular formula of 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium?
The molecular formula of 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium is C[N+](C)(C)NCCC(=O)O.
What is the molecular weight of 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium?
The molecular weight of 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium is 147.11 g/mol.
Where can I buy 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium?
You can request a quote for 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Carboxyethyl)-1,1,1-trimethyldiazanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.