C42H57BO3
TL;DR: C42H57BO3 (CAS 65416-32-2) is a chemical compound with molecular formula C42H57BO3 and molecular weight 620.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris[3-(4-tert-butylphenyl)-2-methylprop-2-enyl] borate
Also Known As: 2-Propen-1-ol, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-, triester with boric acid (H3BO3), 2-Propen-1-ol, 3-(4-(1,1-dimethylethyl)phenyl)-2-methyl-, 1,1',1''-triester with boric acid (H3BO3), 2-Propen-1-ol, 3-(4-(1,1-dimethylethyl)phenyl)-2-methyl-, triester with boric acid (H3BO3)
| Molecular Formula | C42H57BO3 |
|---|---|
| Molecular Weight | 620.44 g/mol |
| LogP | 11.22 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 620.44006 |
| Heavy Atoms | 46 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 65416-32-2 |
|---|---|
| SMILES | B(OCC(=CC1=CC=C(C=C1)C(C)(C)C)C)(OCC(=CC2=CC=C(C=C2)C(C)(C)C)C)OCC(=CC3=CC=C(C=C3)C(C)(C)C)C |
| InChIKey | YJZSBTJXLOUXMG-UHFFFAOYSA-N |
Product Overview
C42H57BO3 (CAS 65416-32-2), with molecular formula C42H57BO3 and molecular weight 620.44 g/mol. IUPAC: tris[3-(4-tert-butylphenyl)-2-methylprop-2-enyl] borate.
Chemical Property Profile of C42H57BO3
Property Insights of C42H57BO3
The XLogP value of 11.22 indicates that C42H57BO3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, C42H57BO3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C42H57BO3 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 C42H57BO3?
The CAS number of C42H57BO3 is 65416-32-2.
What is the molecular formula of C42H57BO3?
The molecular formula of C42H57BO3 is C42H57BO3.
What is the molecular weight of C42H57BO3?
The molecular weight of C42H57BO3 is 620.44 g/mol.
Where can I buy C42H57BO3?
You can request a quote for C42H57BO3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C42H57BO3?
Yes, KEHONG BIO provides custom synthesis services for C42H57BO3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.