Propyl 2-formylbenzoate
TL;DR: Propyl 2-formylbenzoate (CAS 500535-75-1) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-formylbenzoate
Also Known As: propyl 2-formylbenzoate
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 500535-75-1 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=CC=C1C=O |
| InChIKey | JOOCKHMUTNPMHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl 2-formylbenzoate (CAS 500535-75-1), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: propyl 2-formylbenzoate.
Chemical Property Profile of Propyl 2-formylbenzoate
Property Insights of Propyl 2-formylbenzoate
The XLogP value of 3.1 indicates that Propyl 2-formylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Propyl 2-formylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 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 Propyl 2-formylbenzoate?
The CAS number of Propyl 2-formylbenzoate is 500535-75-1.
What is the molecular formula of Propyl 2-formylbenzoate?
The molecular formula of Propyl 2-formylbenzoate is C11H12O3.
What is the molecular weight of Propyl 2-formylbenzoate?
The molecular weight of Propyl 2-formylbenzoate is 192.08 g/mol.
Where can I buy Propyl 2-formylbenzoate?
You can request a quote for Propyl 2-formylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-formylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-formylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.