Guaiacylacetone
TL;DR: Guaiacylacetone (CAS 2503-46-0) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxy-3-methoxyphenyl)propan-2-one
Also Known As: Guaiacylacetone, 4-Hydroxy-3-methoxyphenylacetone, Vanillyl methyl ketone, 1-(4-hydroxy-3-methoxyphenyl)propan-2-one, 2-Propiovanillone
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 2503-46-0 |
|---|---|
| SMILES | CC(=O)CC1=CC(=C(C=C1)O)OC |
| InChIKey | LFVCJQWZGDLHSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guaiacylacetone (CAS 2503-46-0), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 1-(4-hydroxy-3-methoxyphenyl)propan-2-one.
Chemical Property Profile of Guaiacylacetone
Property Insights of Guaiacylacetone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guaiacylacetone. With a topological polar surface area (TPSA) of 46.5 Ų, Guaiacylacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Guaiacylacetone 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 Guaiacylacetone?
The CAS number of Guaiacylacetone is 2503-46-0.
What is the molecular formula of Guaiacylacetone?
The molecular formula of Guaiacylacetone is C10H12O3.
What is the molecular weight of Guaiacylacetone?
The molecular weight of Guaiacylacetone is 180.08 g/mol.
Where can I buy Guaiacylacetone?
You can request a quote for Guaiacylacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guaiacylacetone?
Yes, KEHONG BIO provides custom synthesis services for Guaiacylacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.