4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate
TL;DR: 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate (CAS 699-90-1) is a chemical compound with molecular formula C22H28O2 and molecular weight 324.21 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] butanoate
Also Known As: [2-4-tert-butyl-phenyl]butanoate|4-tert-butyl-2-(1-phenylethyl)phenyl butanoate|[2- -4-tert-butyl-phenyl]butanoate|[4-tert-butyl-2-(1-phenylethyl)phenyl] butanoate|4-(2-Methyl-2-propanyl)-2-(1-phenylethyl)phenyl butyrate|Butanoic acid,4-(1,1-dimethylethyl)-2-(1-phenylethyl)phenyl ester
| Molecular Formula | C22H28O2 |
|---|---|
| Molecular Weight | 324.21 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.20892 |
| Heavy Atoms | 24 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 699-90-1 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C=C(C=C1)C(C)(C)C)C(C)C2=CC=CC=C2 |
| InChIKey | XHNMDNGGVMGLOL-UHFFFAOYSA-N |
Product Overview
4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate (CAS 699-90-1), with molecular formula C22H28O2 and molecular weight 324.21 g/mol. IUPAC: [4-tert-butyl-2-(1-phenylethyl)phenyl] butanoate.
Chemical Property Profile of 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate
Property Insights of 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate
The XLogP value of 6.4 indicates that 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate 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 butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate 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 butanoate?
The CAS number of 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate is 699-90-1.
What is the molecular formula of 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate?
The molecular formula of 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate is C22H28O2.
What is the molecular weight of 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate?
The molecular weight of 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate is 324.21 g/mol.
Where can I buy 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate?
You can request a quote for 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate 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 butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl-2-(1-phenylethyl)phenyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.