Isopropyl 3-phenylpropionate
TL;DR: Isopropyl 3-phenylpropionate (CAS 22767-95-9) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-phenylpropanoate
Also Known As: isopropyl 3-phenylpropionate, propan-2-yl 3-phenylpropanoate, Isopropyl 3-phenylpropanoate, Isopropyl 3-phenylpropanoate #, Hydrocinnamic acid isopropyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 22767-95-9 |
|---|---|
| SMILES | CC(C)OC(=O)CCC1=CC=CC=C1 |
| InChIKey | YQPAOLMOGAHRLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 3-phenylpropionate (CAS 22767-95-9), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: propan-2-yl 3-phenylpropanoate.
Chemical Property Profile of Isopropyl 3-phenylpropionate
Property Insights of Isopropyl 3-phenylpropionate
The XLogP value of 3.1 indicates that Isopropyl 3-phenylpropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropyl 3-phenylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 3-phenylpropionate 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 Isopropyl 3-phenylpropionate?
The CAS number of Isopropyl 3-phenylpropionate is 22767-95-9.
What is the molecular formula of Isopropyl 3-phenylpropionate?
The molecular formula of Isopropyl 3-phenylpropionate is C12H16O2.
What is the molecular weight of Isopropyl 3-phenylpropionate?
The molecular weight of Isopropyl 3-phenylpropionate is 192.12 g/mol.
Where can I buy Isopropyl 3-phenylpropionate?
You can request a quote for Isopropyl 3-phenylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 3-phenylpropionate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 3-phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.