4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate
TL;DR: 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate (CAS 6998-83-0) is a chemical compound with molecular formula C21H26O2 and molecular weight 310.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-tert-butyl-2-(1-phenylethyl)phenyl] propanoate
Also Known As: 4-tert-butyl-2-(1-phenylethyl)phenyl propanoate, [4-tert-butyl-2-(1-phenylethyl)phenyl] propanoate, 4-(2-Methyl-2-propanyl)-2-(1-phenylethyl)phenyl propanoate, Phenol,4-(1,1-dimethylethyl)-2-(1-phenylethyl)-, 1-propanoate
| Molecular Formula | C21H26O2 |
|---|---|
| Molecular Weight | 310.19 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.19327 |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 6998-83-0 |
|---|---|
| SMILES | CCC(=O)OC1=C(C=C(C=C1)C(C)(C)C)C(C)C2=CC=CC=C2 |
| InChIKey | PSLACLLQCBVOCC-UHFFFAOYSA-N |
Product Overview
4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate (CAS 6998-83-0), with molecular formula C21H26O2 and molecular weight 310.19 g/mol. IUPAC: [4-tert-butyl-2-(1-phenylethyl)phenyl] propanoate.
Chemical Property Profile of 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate
Property Insights of 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate
The XLogP value of 6.1 indicates that 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate 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 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate?
The CAS number of 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate is 6998-83-0.
What is the molecular formula of 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate?
The molecular formula of 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate is C21H26O2.
What is the molecular weight of 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate?
The molecular weight of 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate is 310.19 g/mol.
Where can I buy 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate?
You can request a quote for 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl-2-(1-phenylethyl)phenyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.