Prop-2-enyl 2-formylbenzoate
TL;DR: Prop-2-enyl 2-formylbenzoate (CAS 78162-58-0) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-formylbenzoate
Also Known As: prop-2-enyl 2-formylbenzoate, prop-2-en-1-yl 2-formylbenzoate
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 78162-58-0 |
|---|---|
| SMILES | C=CCOC(=O)C1=CC=CC=C1C=O |
| InChIKey | BLENJWZBWUNXDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prop-2-enyl 2-formylbenzoate (CAS 78162-58-0), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: prop-2-enyl 2-formylbenzoate.
Chemical Property Profile of Prop-2-enyl 2-formylbenzoate
Property Insights of Prop-2-enyl 2-formylbenzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-enyl 2-formylbenzoate. With a topological polar surface area (TPSA) of 43.4 Ų, Prop-2-enyl 2-formylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-enyl 2-formylbenzoate 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 Prop-2-enyl 2-formylbenzoate?
The CAS number of Prop-2-enyl 2-formylbenzoate is 78162-58-0.
What is the molecular formula of Prop-2-enyl 2-formylbenzoate?
The molecular formula of Prop-2-enyl 2-formylbenzoate is C11H10O3.
What is the molecular weight of Prop-2-enyl 2-formylbenzoate?
The molecular weight of Prop-2-enyl 2-formylbenzoate is 190.06 g/mol.
Where can I buy Prop-2-enyl 2-formylbenzoate?
You can request a quote for Prop-2-enyl 2-formylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-enyl 2-formylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-enyl 2-formylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.