Phenol, dodecyl-, calcium salt (2:1)
TL;DR: Phenol, dodecyl-, calcium salt (2:1) (CAS 52274-73-4) is a chemical compound with molecular formula C36H58CaO2 and molecular weight 562.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-dodecylphenolate)
Also Known As: Calcium dodecylphenolate, Dodecylphenol, calcium salt, calciumdodecylphenolate, calcium 2-dodecylphenolate, calcium,2-dodecylphenolate
| Molecular Formula | C36H58CaO2 |
|---|---|
| Molecular Weight | 562.41 g/mol |
| LogP | 10.0664 |
| Topological Polar Surface Area | 46.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 22 |
| Exact Mass | 562.40625 |
| Heavy Atoms | 39 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 52274-73-4 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=CC=C1[O-].CCCCCCCCCCCCC1=CC=CC=C1[O-].[Ca+2] |
| InChIKey | AOEDKRBKBXVTAU-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, dodecyl-, calcium salt (2:1) (CAS 52274-73-4), with molecular formula C36H58CaO2 and molecular weight 562.41 g/mol. IUPAC: calcium bis(2-dodecylphenolate).
Chemical Property Profile of Phenol, dodecyl-, calcium salt (2:1)
Property Insights of Phenol, dodecyl-, calcium salt (2:1)
The XLogP value of 10.0664 indicates that Phenol, dodecyl-, calcium salt (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.1 Ų, Phenol, dodecyl-, calcium salt (2:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, dodecyl-, calcium salt (2:1) has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, dodecyl-, calcium salt (2:1)?
The CAS number of Phenol, dodecyl-, calcium salt (2:1) is 52274-73-4.
What is the molecular formula of Phenol, dodecyl-, calcium salt (2:1)?
The molecular formula of Phenol, dodecyl-, calcium salt (2:1) is C36H58CaO2.
What is the molecular weight of Phenol, dodecyl-, calcium salt (2:1)?
The molecular weight of Phenol, dodecyl-, calcium salt (2:1) is 562.41 g/mol.
Where can I buy Phenol, dodecyl-, calcium salt (2:1)?
You can request a quote for Phenol, 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, dodecyl-, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, dodecyl-, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.