Guaiacol valerate
TL;DR: Guaiacol valerate (CAS 531-39-5) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxyphenyl) pentanoate
Also Known As: guaiacol valerate, Geosot, 2-methoxyphenyl pentanoate, Guaiacol valerate [MI], (2-methoxyphenyl) pentanoate
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.7908 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 320.3982 |
Chemical Identifiers
| CAS Number | 531-39-5 |
|---|---|
| SMILES | CCCCC(=O)OC1=CC=CC=C1OC |
Product Overview
Guaiacol valerate (CAS 531-39-5), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: (2-methoxyphenyl) pentanoate.
Chemical Property Profile of Guaiacol valerate
Property Insights of Guaiacol valerate
The XLogP value of 2.7908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guaiacol valerate. With a topological polar surface area (TPSA) of 35.53 Ų, Guaiacol valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Guaiacol valerate 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 valerate?
The CAS number of Guaiacol valerate is 531-39-5.
What is the molecular formula of Guaiacol valerate?
The molecular formula of Guaiacol valerate is C12H16O3.
What is the molecular weight of Guaiacol valerate?
The molecular weight of Guaiacol valerate is 208.11 g/mol.
Where can I buy Guaiacol valerate?
You can request a quote for Guaiacol valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guaiacol valerate?
Yes, KEHONG BIO provides custom synthesis services for Guaiacol valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.