Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester
TL;DR: Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester (CAS 87228-44-2) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 2,2-dimethylpropanoate
Also Known As: 3-Phenylpropyl pivalate #, Pivalic acid, 3-phenylpropyl ester, 3-phenylpropyl 2,2-dimethylpropanoate, Pivalic acid hydrocinnamyl ester, Pivalic acid 3-phenylpropyl ester
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 87228-44-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCCCC1=CC=CC=C1 |
| InChIKey | VTNMQSJJYJYTPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester (CAS 87228-44-2), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 3-phenylpropyl 2,2-dimethylpropanoate.
Chemical Property Profile of Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester
Property Insights of Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester
The XLogP value of 3.9 indicates that Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester 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 Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester?
The CAS number of Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester is 87228-44-2.
What is the molecular formula of Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester?
The molecular formula of Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester is C14H20O2.
What is the molecular weight of Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester?
The molecular weight of Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester is 220.15 g/mol.
Where can I buy Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester?
You can request a quote for Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2,2-dimethyl-, 3-phenylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.