Isopropyl 4-ethoxybenzoate
TL;DR: Isopropyl 4-ethoxybenzoate (CAS 500787-91-7) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-ethoxybenzoate
Also Known As: Isopropyl 4-ethoxybenzoate, propan-2-yl 4-ethoxybenzoate, Benzoic acid, 4-ethoxy-, 1-methylethyl ester (9CI)
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 500787-91-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)OC(C)C |
| InChIKey | UMONDPXKVSKCON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 4-ethoxybenzoate (CAS 500787-91-7), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: propan-2-yl 4-ethoxybenzoate.
Chemical Property Profile of Isopropyl 4-ethoxybenzoate
Property Insights of Isopropyl 4-ethoxybenzoate
The XLogP value of 3.5 indicates that Isopropyl 4-ethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Isopropyl 4-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 4-ethoxybenzoate has 0 hydrogen bond donor(s) and 3 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 4-ethoxybenzoate?
The CAS number of Isopropyl 4-ethoxybenzoate is 500787-91-7.
What is the molecular formula of Isopropyl 4-ethoxybenzoate?
The molecular formula of Isopropyl 4-ethoxybenzoate is C12H16O3.
What is the molecular weight of Isopropyl 4-ethoxybenzoate?
The molecular weight of Isopropyl 4-ethoxybenzoate is 208.11 g/mol.
Where can I buy Isopropyl 4-ethoxybenzoate?
You can request a quote for Isopropyl 4-ethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 4-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.