RefChem:79813
TL;DR: RefChem:79813 (CAS 70776-59-9) is a chemical compound with molecular formula C15H28N2O3 and molecular weight 284.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-heptyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]propanoate
Also Known As: 1-(2-Hydroxyethyl)-3-carboxyethyl-2-heptyl-2-imidazoline, 1H-Imidazolium, 1-(2-carboxyethyl)-2-heptyl-4,5-dihydro-3-(2-hydroxyethyl)-, inner salt, 1-(2-Carboxylatoethyl)-2-heptyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium, 3-[2-heptyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]propanoate, 1-(2-carboxylatoethyl)-2-heptyl-3-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-3-ium
| Molecular Formula | C15H28N2O3 |
|---|---|
| Molecular Weight | 284.21 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 284.21 |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 70776-59-9 |
|---|---|
| SMILES | CCCCCCCC1=[N+](CCN1CCC(=O)[O-])CCO |
| InChIKey | FEPOPCWFPPLVFP-UHFFFAOYSA-N |
Product Overview
RefChem:79813 (CAS 70776-59-9), with molecular formula C15H28N2O3 and molecular weight 284.21 g/mol. IUPAC: 3-[2-heptyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]propanoate.
Chemical Property Profile of RefChem:79813
Property Insights of RefChem:79813
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:79813. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79813. Following Lipinski's Rule of Five, RefChem:79813 has 1 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 RefChem:79813?
The CAS number of RefChem:79813 is 70776-59-9.
What is the molecular formula of RefChem:79813?
The molecular formula of RefChem:79813 is C15H28N2O3.
What is the molecular weight of RefChem:79813?
The molecular weight of RefChem:79813 is 284.21 g/mol.
Where can I buy RefChem:79813?
You can request a quote for RefChem:79813 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79813?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.