OCTADECANE
TL;DR: OCTADECANE (CAS 63938-38-5) is a chemical compound with molecular formula C14H21N2Na3O7 and molecular weight 398.1042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trisodium;2-[carboxylatomethyl-[2-[carboxylatomethyl-(2-hydroxycyclohexyl)amino]ethyl]amino]acetate
Also Known As: Trisodium-2-(hydroxycyclohexyl)ethylenediamine triacetate, Acetic acid, N-(2-hydroxycyclohexyl)-N,N'-(ethylenediamino)tri-, trisodium salt, Glycine, N-(carboxymethyl)-N'-(2-hydroxycyclohexyl)-N,N'-ethylenedi-, trisodium salt, trisodium;2-[carboxylatomethyl-[2-[carboxylatomethyl-(2-hydroxycyclohexyl)amino]ethyl]amino]acetate, Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxycyclohexyl)-, trisodium salt
Technical Specifications
| Molecular Formula | C14H21N2Na3O7 |
| Molecular Weight | 398.1042 g/mol |
| XLogP | -13.84 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.1042 Da |
| Heavy Atoms | 26 |
| Complexity | 397.0 |
| SMILES | C1CCC(C(C1)N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Na+].[Na+].[Na+] |
| InChIKey | UGSWGDUORNDBTD-UHFFFAOYSA-K |
Chemical Property Profile of OCTADECANE
Property Insights of OCTADECANE
The XLogP value of -13.84 indicates that OCTADECANE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 147.0 Ų indicates high polarity, suggesting OCTADECANE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, OCTADECANE has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of OCTADECANE?
The CAS number of OCTADECANE is 63938-38-5.
What is the molecular formula of OCTADECANE?
The molecular formula of OCTADECANE is C14H21N2Na3O7.
What is the molecular weight of OCTADECANE?
The molecular weight of OCTADECANE is 398.1042 g/mol.
Where can I buy OCTADECANE?
You can request a quote for OCTADECANE directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for OCTADECANE?
Yes, CoreyChem provides custom synthesis services for OCTADECANE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.