Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1)
TL;DR: Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1) (CAS 68516-56-3) is a chemical compound with molecular formula C42H74CaN4O2 and molecular weight 706.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-[(2-aminoethylamino)methyl]-4-dodecylphenolate)
Also Known As: C21H38N2O.1/2Ca, C21-H38-N2-O.1/2Ca, Phenol, 2-[[(2-aminoethyl)amino]methyl]-4-dodecyl-, calcium salt (2:1), calcium bis(2-{[(2-aminoethyl)amino]methyl}-4-dodecylphenolate), calcium 2-[(2-aminoethylamino)methyl]-4-dodecylphenolate
| Molecular Formula | C42H74CaN4O2 |
|---|---|
| Molecular Weight | 706.54 g/mol |
| LogP | 8.16 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 30 |
| Exact Mass | 706.54376 |
| Heavy Atoms | 49 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 68516-56-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC(=C(C=C1)[O-])CNCCN.CCCCCCCCCCCCC1=CC(=C(C=C1)[O-])CNCCN.[Ca+2] |
| InChIKey | CINHZNZNSOVFID-UHFFFAOYSA-L |
Product Overview
Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1) (CAS 68516-56-3), with molecular formula C42H74CaN4O2 and molecular weight 706.54 g/mol. IUPAC: calcium bis(2-[(2-aminoethylamino)methyl]-4-dodecylphenolate).
Chemical Property Profile of Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1)
Property Insights of Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1)
The XLogP value of 8.16 indicates that Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1). Following Lipinski's Rule of Five, Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1)?
The CAS number of Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1) is 68516-56-3.
What is the molecular formula of Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1)?
The molecular formula of Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1) is C42H74CaN4O2.
What is the molecular weight of Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1)?
The molecular weight of Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1) is 706.54 g/mol.
Where can I buy Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1)?
You can request a quote for Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-(((2-aminoethyl)amino)methyl)-4-dodecyl-, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.