Guaiacol butyrate
TL;DR: Guaiacol butyrate (CAS 4112-92-9) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxyphenyl) butanoate
Also Known As: Guaiacol butyrate, 2-Methoxyphenyl butyrate, guaiacyl butyrate, (2-methoxyphenyl) butanoate, 2-METHOXYPHENYL BUTANOATE
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
| Density | 1.064-1.074 |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.522-1.532 |
Chemical Identifiers
| CAS Number | 4112-92-9 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=CC=C1OC |
| InChIKey | ZPWOACJMDUYOJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guaiacol butyrate (CAS 4112-92-9), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: (2-methoxyphenyl) butanoate.
Chemical Property Profile of Guaiacol butyrate
Property Insights of Guaiacol butyrate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guaiacol butyrate. With a topological polar surface area (TPSA) of 35.5 Ų, Guaiacol butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Guaiacol butyrate 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 butyrate?
The CAS number of Guaiacol butyrate is 4112-92-9.
What is the molecular formula of Guaiacol butyrate?
The molecular formula of Guaiacol butyrate is C11H14O3.
What is the molecular weight of Guaiacol butyrate?
The molecular weight of Guaiacol butyrate is 194.09 g/mol.
Where can I buy Guaiacol butyrate?
You can request a quote for Guaiacol butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guaiacol butyrate?
Yes, KEHONG BIO provides custom synthesis services for Guaiacol butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.