Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)
TL;DR: Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate) (CAS 65140-91-2) is a chemical compound with molecular formula C34H56CaO8P2 and molecular weight 694.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate)
Also Known As: Irganox 1425, Antioxidant 1425, Calcium bis[monoethyl(3,5-di-tert-butyl-4-hydroxylbenzyl)phosphonate], C17H29O4P.1/2Ca, calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)
| Molecular Formula | C34H56CaO8P2 |
|---|---|
| Molecular Weight | 694.31 g/mol |
| LogP | 7.77 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 694.3076 |
| Heavy Atoms | 45 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 65140-91-2 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)[O-].[Ca+2] |
| InChIKey | SJEZDMHBMZPMME-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate) (CAS 65140-91-2), with molecular formula C34H56CaO8P2 and molecular weight 694.31 g/mol. IUPAC: calcium bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate).
Chemical Property Profile of Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)
Property Insights of Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)
The XLogP value of 7.77 indicates that Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate). Following Lipinski's Rule of Five, Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate) has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)?
The CAS number of Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate) is 65140-91-2.
What is the molecular formula of Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)?
The molecular formula of Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate) is C34H56CaO8P2.
What is the molecular weight of Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)?
The molecular weight of Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate) is 694.31 g/mol.
Where can I buy Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)?
You can request a quote for Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate)?
Yes, KEHONG BIO provides custom synthesis services for Calcium bis(ethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.