Tert-butyl cinnamate
TL;DR: Tert-butyl cinnamate (CAS 68872-73-1) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-phenylprop-2-enoate
Also Known As: tert-Butyl cinnamate, tert-butylcinnamate, t-butyl cinnamate, tert-butyl (E)-3-phenylprop-2-enoate, tert-butyl 3-phenylprop-2-enoate
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 68872-73-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C=CC1=CC=CC=C1 |
| InChIKey | AGKLVMVJXDFIGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl cinnamate (CAS 68872-73-1), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: tert-butyl 3-phenylprop-2-enoate.
Chemical Property Profile of Tert-butyl cinnamate
Property Insights of Tert-butyl cinnamate
The XLogP value of 3.6 indicates that Tert-butyl cinnamate 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 cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl cinnamate 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 cinnamate?
The CAS number of Tert-butyl cinnamate is 68872-73-1.
What is the molecular formula of Tert-butyl cinnamate?
The molecular formula of Tert-butyl cinnamate is C13H16O2.
What is the molecular weight of Tert-butyl cinnamate?
The molecular weight of Tert-butyl cinnamate is 204.12 g/mol.
Where can I buy Tert-butyl cinnamate?
You can request a quote for Tert-butyl cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl cinnamate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.