RefChem:167682
TL;DR: RefChem:167682 (CAS 68954-57-4) is a chemical compound with molecular formula C28H67N7O2 and molecular weight 533.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine;octadecanoic acid
Also Known As: Octadecanoic acid, reaction products with diethylenetriamine and triethylenetetramine, Stearic acid diethylenetriamine and triethylenetetramine complex, 273-247-7, N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine; N'-(2-aminoethyl)ethane-1,2-diamine; octadecanoic acid, EINECS 273-247-7
| Molecular Formula | C28H67N7O2 |
|---|---|
| Molecular Weight | 533.54 g/mol |
| LogP | 2.9089 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 27 |
| Exact Mass | 533.53564 |
| Heavy Atoms | 37 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 68954-57-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O.C(CNCCN)N.C(CNCCNCCN)N |
| InChIKey | GEBIEUOQXMNNOP-UHFFFAOYSA-N |
Product Overview
RefChem:167682 (CAS 68954-57-4), with molecular formula C28H67N7O2 and molecular weight 533.54 g/mol. IUPAC: N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine;octadecanoic acid.
Chemical Property Profile of RefChem:167682
Property Insights of RefChem:167682
The XLogP value of 2.9089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:167682. The TPSA of 177.0 Ų indicates high polarity, suggesting RefChem:167682 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:167682 has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:167682?
The CAS number of RefChem:167682 is 68954-57-4.
What is the molecular formula of RefChem:167682?
The molecular formula of RefChem:167682 is C28H67N7O2.
What is the molecular weight of RefChem:167682?
The molecular weight of RefChem:167682 is 533.54 g/mol.
Where can I buy RefChem:167682?
You can request a quote for RefChem:167682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:167682?
Yes, KEHONG BIO provides custom synthesis services for RefChem:167682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.