RefChem:438463
TL;DR: RefChem:438463 (CAS 69868-15-1) is a chemical compound with molecular formula C12H20N2Na2O6 and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[1-[2-(carboxylatomethoxy)ethyl]-2-propyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide
Also Known As: 1H-Imidazolium, 1-(2-(carboxymethoxy)ethyl)-1-(carboxymethyl)-4,5-dihydro-2-propyl-, hydroxide, disodium salt, 1H-Imidazolium, 1-(2-(carboxymethoxy)ethyl)-1-(carboxymethyl)-4,5-dihydro-2-propyl-, hydroxide, sodium salt (1:1:2), 1H-Imidazolium, 1-[2-(carboxymethoxy)ethyl]-1-(carboxymethyl)-4,5-dihydro-2-propyl-, hydroxide, disodium salt, sodium hydroxide{1-[2-(carboxylatomethoxy)ethyl]-2-propyl-4,5-dihydro-1h-imidazol-1-ium-1-yl}acetate(2:1:1), 1H-Imidazolium, 1-[2-(carboxymethoxy)ethyl]-1-(carboxymethyl)-4,5-dihydro-2-propyl-, hydroxide, sodium salt (1:1:2)
| Molecular Formula | C12H20N2Na2O6 |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | -8.64 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.11166 |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 69868-15-1 |
|---|---|
| SMILES | CCCC1=NCC[N+]1(CCOCC(=O)[O-])CC(=O)[O-].[OH-].[Na+].[Na+] |
| InChIKey | HKFYPGSRJDPVPO-UHFFFAOYSA-L |
Product Overview
RefChem:438463 (CAS 69868-15-1), with molecular formula C12H20N2Na2O6 and molecular weight 334.11 g/mol. IUPAC: disodium;2-[1-[2-(carboxylatomethoxy)ethyl]-2-propyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide.
Chemical Property Profile of RefChem:438463
Property Insights of RefChem:438463
The XLogP value of -8.64 indicates that RefChem:438463 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:438463. Following Lipinski's Rule of Five, RefChem:438463 has 1 hydrogen bond donor(s) and 7 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 RefChem:438463?
The CAS number of RefChem:438463 is 69868-15-1.
What is the molecular formula of RefChem:438463?
The molecular formula of RefChem:438463 is C12H20N2Na2O6.
What is the molecular weight of RefChem:438463?
The molecular weight of RefChem:438463 is 334.11 g/mol.
Where can I buy RefChem:438463?
You can request a quote for RefChem:438463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:438463?
Yes, KEHONG BIO provides custom synthesis services for RefChem:438463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.