Guaiacol cinnamate
TL;DR: Guaiacol cinnamate (CAS 5405-83-4) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxyphenyl) (E)-3-phenylprop-2-enoate
Also Known As: Guaiacol cinnamate, Styracol, 2-Methoxyphenyl cinnamate, 2-Methoxyphenyl 3-phenylacrylate, 2-methoxyphenyl 3-phenylprop-2-enoate
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 5405-83-4 |
|---|---|
| SMILES | COC1=CC=CC=C1OC(=O)/C=C/C2=CC=CC=C2 |
| InChIKey | SYKAZDSPTNFPJX-VAWYXSNFSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guaiacol cinnamate (CAS 5405-83-4), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: (2-methoxyphenyl) (E)-3-phenylprop-2-enoate.
Chemical Property Profile of Guaiacol cinnamate
Property Insights of Guaiacol cinnamate
The XLogP value of 3.5 indicates that Guaiacol cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Guaiacol cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Guaiacol cinnamate 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 cinnamate?
The CAS number of Guaiacol cinnamate is 5405-83-4.
What is the molecular formula of Guaiacol cinnamate?
The molecular formula of Guaiacol cinnamate is C16H14O3.
What is the molecular weight of Guaiacol cinnamate?
The molecular weight of Guaiacol cinnamate is 254.09 g/mol.
Where can I buy Guaiacol cinnamate?
You can request a quote for Guaiacol cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guaiacol cinnamate?
Yes, KEHONG BIO provides custom synthesis services for Guaiacol cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.