Guacetisal
TL;DR: Guacetisal (CAS 55482-89-8) is a chemical compound with molecular formula C16H14O5 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxyphenyl) 2-acetyloxybenzoate
Also Known As: Guacetisal, Guacetisalum, Broncaspin, 2-methoxyphenyl 2-acetoxybenzoate, Prontomucil
| Molecular Formula | C16H14O5 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.08414 |
| Heavy Atoms | 21 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 55482-89-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2OC |
| InChIKey | HSJFYRYGGKLQBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Guacetisal (CAS 55482-89-8), with molecular formula C16H14O5 and molecular weight 286.08 g/mol. IUPAC: (2-methoxyphenyl) 2-acetyloxybenzoate.
Chemical Property Profile of Guacetisal
Property Insights of Guacetisal
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guacetisal. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Guacetisal. Following Lipinski's Rule of Five, Guacetisal has 0 hydrogen bond donor(s) and 5 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 Guacetisal?
The CAS number of Guacetisal is 55482-89-8.
What is the molecular formula of Guacetisal?
The molecular formula of Guacetisal is C16H14O5.
What is the molecular weight of Guacetisal?
The molecular weight of Guacetisal is 286.08 g/mol.
Where can I buy Guacetisal?
You can request a quote for Guacetisal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guacetisal?
Yes, KEHONG BIO provides custom synthesis services for Guacetisal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.