Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester
TL;DR: Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester (CAS 72959-50-3) is a chemical compound with molecular formula C18H28O2 and molecular weight 276.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-ditert-butyl-4-methylphenyl) propanoate
Also Known As: (2,6-ditert-butyl-4-methylphenyl) propanoate, 2,6-di-t-butyl-4-methylphenyl propionate, 2,6-Di-tert-butyl-4-methylphenyl propionate, (4-methyl-2,6-ditert-butyl-phenyl) Propanoate, PROPIONIC ACID 2,6-DI-TERT-BUTYL-4-METHYL-PHENYL ESTER
| Molecular Formula | C18H28O2 |
|---|---|
| Molecular Weight | 276.21 g/mol |
| LogP | 4.90542 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.20892 |
| Heavy Atoms | 20 |
| Complexity | 464.12512 |
Chemical Identifiers
| CAS Number | 72959-50-3 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=C(C=C1C(C)(C)C)C)C(C)(C)C |
Product Overview
Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester (CAS 72959-50-3), with molecular formula C18H28O2 and molecular weight 276.21 g/mol. IUPAC: (2,6-ditert-butyl-4-methylphenyl) propanoate.
Chemical Property Profile of Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester
Property Insights of Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester
The XLogP value of 4.90542 indicates that Propionic acid 2,6-DI-tert-butyl-4-methyl-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, Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester?
The CAS number of Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester is 72959-50-3.
What is the molecular formula of Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester?
The molecular formula of Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester is C18H28O2.
What is the molecular weight of Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester?
The molecular weight of Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester is 276.21 g/mol.
Where can I buy Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester?
You can request a quote for Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid 2,6-DI-tert-butyl-4-methyl-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.