Formic acid, 2,4,6-tri-t-butyl-phenyl ester
TL;DR: Formic acid, 2,4,6-tri-t-butyl-phenyl ester (CAS 959043-58-4) is a chemical compound with molecular formula C19H30O2 and molecular weight 290.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-tritert-butylphenyl) formate
Also Known As: (2,4,6-tritert-butylphenyl) formate, 2,4,6-Tritert-butylphenyl formate #, Formic acid, 2,4,6-tri-t-butyl-phenyl ester, Phenol, 2,4,6-tris(1,1-dimethylethyl)-, 1-formate
| Molecular Formula | C19H30O2 |
|---|---|
| Molecular Weight | 290.22 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.22458 |
| Heavy Atoms | 21 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 959043-58-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OC=O)C(C)(C)C |
| InChIKey | JVDZBXHPIJBZCC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Formic acid, 2,4,6-tri-t-butyl-phenyl ester (CAS 959043-58-4), with molecular formula C19H30O2 and molecular weight 290.22 g/mol. IUPAC: (2,4,6-tritert-butylphenyl) formate.
Chemical Property Profile of Formic acid, 2,4,6-tri-t-butyl-phenyl ester
Property Insights of Formic acid, 2,4,6-tri-t-butyl-phenyl ester
The XLogP value of 6.7 indicates that Formic acid, 2,4,6-tri-t-butyl-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Formic acid, 2,4,6-tri-t-butyl-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Formic acid, 2,4,6-tri-t-butyl-phenyl ester 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 Formic acid, 2,4,6-tri-t-butyl-phenyl ester?
The CAS number of Formic acid, 2,4,6-tri-t-butyl-phenyl ester is 959043-58-4.
What is the molecular formula of Formic acid, 2,4,6-tri-t-butyl-phenyl ester?
The molecular formula of Formic acid, 2,4,6-tri-t-butyl-phenyl ester is C19H30O2.
What is the molecular weight of Formic acid, 2,4,6-tri-t-butyl-phenyl ester?
The molecular weight of Formic acid, 2,4,6-tri-t-butyl-phenyl ester is 290.22 g/mol.
Where can I buy Formic acid, 2,4,6-tri-t-butyl-phenyl ester?
You can request a quote for Formic acid, 2,4,6-tri-t-butyl-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Formic acid, 2,4,6-tri-t-butyl-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Formic acid, 2,4,6-tri-t-butyl-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.