Ethyl 4-propan-2-ylbenzoate
TL;DR: Ethyl 4-propan-2-ylbenzoate (CAS 19024-50-1) 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.
ethyl 4-propan-2-ylbenzoate
Also Known As: ethyl 4-propan-2-ylbenzoate, ethyl 4-isopropylbenzoate, ethyl 4-(propan-2-yl)benzoate, ethyl p-isopropylbenzoate, 4-Isopropylbenzoic acid ethyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 19024-50-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(C)C |
| InChIKey | MKVMNGIAVDCPOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-propan-2-ylbenzoate (CAS 19024-50-1), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: ethyl 4-propan-2-ylbenzoate.
Chemical Property Profile of Ethyl 4-propan-2-ylbenzoate
Property Insights of Ethyl 4-propan-2-ylbenzoate
The XLogP value of 3.8 indicates that Ethyl 4-propan-2-ylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-propan-2-ylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-propan-2-ylbenzoate 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 Ethyl 4-propan-2-ylbenzoate?
The CAS number of Ethyl 4-propan-2-ylbenzoate is 19024-50-1.
What is the molecular formula of Ethyl 4-propan-2-ylbenzoate?
The molecular formula of Ethyl 4-propan-2-ylbenzoate is C12H16O2.
What is the molecular weight of Ethyl 4-propan-2-ylbenzoate?
The molecular weight of Ethyl 4-propan-2-ylbenzoate is 192.12 g/mol.
Where can I buy Ethyl 4-propan-2-ylbenzoate?
You can request a quote for Ethyl 4-propan-2-ylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-propan-2-ylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-propan-2-ylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.