RefChem:79810
TL;DR: RefChem:79810 (CAS 68630-91-1) is a chemical compound with molecular formula C20H35N3O6 and molecular weight 413.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[2-[bis(2-carboxyethyl)amino]ethyl]-2-heptyl-4,5-dihydroimidazol-1-ium-1-yl]acetate
Also Known As: 1H-Imidazolium, 1-[2-[bis(2-carboxyethyl)amino]ethyl]-3-(carboxymethyl)-2-heptyl-4,5-dihydro-, inner salt, 1-(N,N-Bis(carboxyethyl)amino)ethyl-2-heptyl-3-carboxymethylimidazoline, inner salt, (1-{2-[bis(2-carboxyethyl)amino]ethyl}-2-heptyl-4,5-dihydro-1h-imidazol-3-ium-3-yl)acetate(non-preferred name), 1H-Imidazolium, 1-(2-(bis(2-carboxyethyl)amino)ethyl)-3-(carboxymethyl)-2-heptyl-4,5-dihydro-, inner salt, DIHYDROGEN 1-[2-[BIS(2-CARBOXYLATOETHYL)AMINO]ETHYL]-3-(CARBOXYLATOMETHYL)-2-HEPTYL-4,5-DIHYDRO-1H-IMIDAZOLIUM
| Molecular Formula | C20H35N3O6 |
|---|---|
| Molecular Weight | 413.25 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 413.2526 |
| Heavy Atoms | 29 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 68630-91-1 |
|---|---|
| SMILES | CCCCCCCC1=[N+](CCN1CCN(CCC(=O)O)CCC(=O)O)CC(=O)[O-] |
| InChIKey | GNVWZGDXBIMRBQ-UHFFFAOYSA-N |
Product Overview
RefChem:79810 (CAS 68630-91-1), with molecular formula C20H35N3O6 and molecular weight 413.25 g/mol. IUPAC: 2-[3-[2-[bis(2-carboxyethyl)amino]ethyl]-2-heptyl-4,5-dihydroimidazol-1-ium-1-yl]acetate.
Chemical Property Profile of RefChem:79810
Property Insights of RefChem:79810
The XLogP value of -0.6 indicates that RefChem:79810 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79810. Following Lipinski's Rule of Five, RefChem:79810 has 2 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:79810?
The CAS number of RefChem:79810 is 68630-91-1.
What is the molecular formula of RefChem:79810?
The molecular formula of RefChem:79810 is C20H35N3O6.
What is the molecular weight of RefChem:79810?
The molecular weight of RefChem:79810 is 413.25 g/mol.
Where can I buy RefChem:79810?
You can request a quote for RefChem:79810 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79810?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79810 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.