Catechol, acetate
TL;DR: Catechol, acetate (CAS 3420-63-1) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxyphenyl) acetate
Also Known As: 2-hydroxyphenyl acetate, Catechol, acetate, 2-Acetoxyphenol, (2-hydroxyphenyl) acetate, Catechol monoacetate
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 3420-63-1 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1O |
| InChIKey | LSFYCRUFNRBZNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Catechol, acetate (CAS 3420-63-1), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: (2-hydroxyphenyl) acetate.
Chemical Property Profile of Catechol, acetate
Property Insights of Catechol, acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Catechol, acetate. With a topological polar surface area (TPSA) of 46.5 Ų, Catechol, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Catechol, acetate 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 Catechol, acetate?
The CAS number of Catechol, acetate is 3420-63-1.
What is the molecular formula of Catechol, acetate?
The molecular formula of Catechol, acetate is C8H8O3.
What is the molecular weight of Catechol, acetate?
The molecular weight of Catechol, acetate is 152.05 g/mol.
Where can I buy Catechol, acetate?
You can request a quote for Catechol, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Catechol, acetate?
Yes, KEHONG BIO provides custom synthesis services for Catechol, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.