Barium dibenzylphosphate
TL;DR: Barium dibenzylphosphate (CAS 6332-68-9) is a chemical compound with molecular formula C28H28BaO8P2 and molecular weight 692.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);bis(dibenzyl phosphate)
Also Known As: Barium dibenzylphosphate, Barium dibenzyl phosphate, barium(2+); dibenzyl phosphate, C14H15O4P.1/2Ba, Phosphoric acid, dibenzyl ester, barium salt
| Molecular Formula | C28H28BaO8P2 |
|---|---|
| Molecular Weight | 692.03 g/mol |
| LogP | 5.396 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 692.0312 |
| Heavy Atoms | 39 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 6332-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COP(=O)([O-])OCC2=CC=CC=C2.C1=CC=C(C=C1)COP(=O)([O-])OCC2=CC=CC=C2.[Ba+2] |
| InChIKey | LUTXTFZWEOYQTF-UHFFFAOYSA-L |
Product Overview
Barium dibenzylphosphate (CAS 6332-68-9), with molecular formula C28H28BaO8P2 and molecular weight 692.03 g/mol. IUPAC: barium(2+);bis(dibenzyl phosphate).
Chemical Property Profile of Barium dibenzylphosphate
Property Insights of Barium dibenzylphosphate
The XLogP value of 5.396 indicates that Barium dibenzylphosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Barium dibenzylphosphate. Following Lipinski's Rule of Five, Barium dibenzylphosphate has 0 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 Barium dibenzylphosphate?
The CAS number of Barium dibenzylphosphate is 6332-68-9.
What is the molecular formula of Barium dibenzylphosphate?
The molecular formula of Barium dibenzylphosphate is C28H28BaO8P2.
What is the molecular weight of Barium dibenzylphosphate?
The molecular weight of Barium dibenzylphosphate is 692.03 g/mol.
Where can I buy Barium dibenzylphosphate?
You can request a quote for Barium dibenzylphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium dibenzylphosphate?
Yes, KEHONG BIO provides custom synthesis services for Barium dibenzylphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.