Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3)
TL;DR: Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3) (CAS 68443-37-8) is a chemical compound with molecular formula C45H45BO3 and molecular weight 644.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris[4-(2-phenylpropan-2-yl)phenyl] borate
Also Known As: Tri(p-cumylphenyl) borate, tris[4-(2-phenylpropan-2-yl)phenyl] borate, Phenol, 4-(1-methyl-1-phenylethyl)-, triester with boric acid (H3BO3), tris[4-(1-methyl-1-phenyl-ethyl)phenyl] borate, Boric acid tris[4-(1-methyl-1-phenylethyl)phenyl] ester
| Molecular Formula | C45H45BO3 |
|---|---|
| Molecular Weight | 644.35 g/mol |
| LogP | 11.19 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 644.3462 |
| Heavy Atoms | 49 |
| Complexity | 826.0 |
Chemical Identifiers
| CAS Number | 68443-37-8 |
|---|---|
| SMILES | B(OC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2)(OC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4)OC5=CC=C(C=C5)C(C)(C)C6=CC=CC=C6 |
| InChIKey | SCTUIUGUZVVWEX-UHFFFAOYSA-N |
Product Overview
Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3) (CAS 68443-37-8), with molecular formula C45H45BO3 and molecular weight 644.35 g/mol. IUPAC: tris[4-(2-phenylpropan-2-yl)phenyl] borate.
Chemical Property Profile of Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3)
Property Insights of Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3)
The XLogP value of 11.19 indicates that Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3)?
The CAS number of Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3) is 68443-37-8.
What is the molecular formula of Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3)?
The molecular formula of Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3) is C45H45BO3.
What is the molecular weight of Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3)?
The molecular weight of Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3) is 644.35 g/mol.
Where can I buy Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3)?
You can request a quote for Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-(1-methyl-1-phenylethyl)-, 1,1',1''-triester with boric acid (H3BO3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.