Guaiacol propionate
TL;DR: Guaiacol propionate (CAS 7598-60-9) 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.
(2-methoxyphenyl) propanoate
Also Known As: Guaiacol propionate, Guaiacyl propionate, (2-methoxyphenyl) propanoate, 2-Methoxyphenyl propionate, Propionyl guaiacolate
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 7598-60-9 |
|---|---|
| SMILES | CCC(=O)OC1=CC=CC=C1OC |
| InChIKey | UYXMBPVOGLUKIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guaiacol propionate (CAS 7598-60-9), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: (2-methoxyphenyl) propanoate.
Chemical Property Profile of Guaiacol propionate
Property Insights of Guaiacol propionate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guaiacol propionate. With a topological polar surface area (TPSA) of 35.5 Ų, Guaiacol propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Guaiacol propionate 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 Guaiacol propionate?
The CAS number of Guaiacol propionate is 7598-60-9.
What is the molecular formula of Guaiacol propionate?
The molecular formula of Guaiacol propionate is C10H12O3.
What is the molecular weight of Guaiacol propionate?
The molecular weight of Guaiacol propionate is 180.08 g/mol.
Where can I buy Guaiacol propionate?
You can request a quote for Guaiacol propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guaiacol propionate?
Yes, KEHONG BIO provides custom synthesis services for Guaiacol propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.