O-Ethylvanillin
TL;DR: O-Ethylvanillin (CAS 492-88-6) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-2-hydroxybenzaldehyde
Also Known As: 3-Ethoxysalicylaldehyde, 3-Ethoxy-2-hydroxybenzaldehyde, Novovanillin, O-Ethylvanillin, Benzaldehyde, 3-ethoxy-2-hydroxy-
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 492-88-6 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1O)C=O |
| InChIKey | OFQBYHLLIJGMNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-Ethylvanillin (CAS 492-88-6), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 3-ethoxy-2-hydroxybenzaldehyde.
Chemical Property Profile of O-Ethylvanillin
Property Insights of O-Ethylvanillin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethylvanillin. With a topological polar surface area (TPSA) of 46.5 Ų, O-Ethylvanillin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Ethylvanillin has 1 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 O-Ethylvanillin?
The CAS number of O-Ethylvanillin is 492-88-6.
What is the molecular formula of O-Ethylvanillin?
The molecular formula of O-Ethylvanillin is C9H10O3.
What is the molecular weight of O-Ethylvanillin?
The molecular weight of O-Ethylvanillin is 166.06 g/mol.
Where can I buy O-Ethylvanillin?
You can request a quote for O-Ethylvanillin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethylvanillin?
Yes, KEHONG BIO provides custom synthesis services for O-Ethylvanillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.