Tert-butyl 2-phenylhexanoate
TL;DR: Tert-butyl 2-phenylhexanoate (CAS 42382-92-3) is a chemical compound with molecular formula C16H24O2 and molecular weight 248.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-phenylhexanoate
Also Known As: tert-butyl 2-phenylhexanoate, 2-Phenyl-capronsaeure-tert-butylester, 1,1-Dimethylethyl -butylbenzeneacetate, 1,1-Dimethylethyl, A-butylbenzeneacetate
| Molecular Formula | C16H24O2 |
|---|---|
| Molecular Weight | 248.18 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.17763 |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 42382-92-3 |
|---|---|
| SMILES | CCCCC(C1=CC=CC=C1)C(=O)OC(C)(C)C |
| InChIKey | PQJACQXKPIUANE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl 2-phenylhexanoate (CAS 42382-92-3), with molecular formula C16H24O2 and molecular weight 248.18 g/mol. IUPAC: tert-butyl 2-phenylhexanoate.
Chemical Property Profile of Tert-butyl 2-phenylhexanoate
Property Insights of Tert-butyl 2-phenylhexanoate
The XLogP value of 4.7 indicates that Tert-butyl 2-phenylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl 2-phenylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-phenylhexanoate 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 Tert-butyl 2-phenylhexanoate?
The CAS number of Tert-butyl 2-phenylhexanoate is 42382-92-3.
What is the molecular formula of Tert-butyl 2-phenylhexanoate?
The molecular formula of Tert-butyl 2-phenylhexanoate is C16H24O2.
What is the molecular weight of Tert-butyl 2-phenylhexanoate?
The molecular weight of Tert-butyl 2-phenylhexanoate is 248.18 g/mol.
Where can I buy Tert-butyl 2-phenylhexanoate?
You can request a quote for Tert-butyl 2-phenylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-phenylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-phenylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.