2-Guaiacolethanol acetylsalicylate
TL;DR: 2-Guaiacolethanol acetylsalicylate (CAS 86970-97-0) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methoxyphenoxy)ethyl 2-acetyloxybenzoate
Also Known As: 2-Guaiacolethanol acetylsalicylate, 2-Guaiacolethanol acetylsalicilate, 2-(2-Methoxyphenoxy)ethyl 2-(acetyloxy)benzoate, 2-(2-methoxyphenoxy)ethyl 2-acetyloxybenzoate, Acetilsalicilato di 2-guaiacoletanolo
| Molecular Formula | C18H18O6 |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 330.11035 |
| Heavy Atoms | 24 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 86970-97-0 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OCCOC2=CC=CC=C2OC |
| InChIKey | FEFLVJLFTWFCOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Guaiacolethanol acetylsalicylate (CAS 86970-97-0), with molecular formula C18H18O6 and molecular weight 330.11 g/mol. IUPAC: 2-(2-methoxyphenoxy)ethyl 2-acetyloxybenzoate.
Chemical Property Profile of 2-Guaiacolethanol acetylsalicylate
Property Insights of 2-Guaiacolethanol acetylsalicylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Guaiacolethanol acetylsalicylate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Guaiacolethanol acetylsalicylate. Following Lipinski's Rule of Five, 2-Guaiacolethanol acetylsalicylate has 0 hydrogen bond donor(s) and 6 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 2-Guaiacolethanol acetylsalicylate?
The CAS number of 2-Guaiacolethanol acetylsalicylate is 86970-97-0.
What is the molecular formula of 2-Guaiacolethanol acetylsalicylate?
The molecular formula of 2-Guaiacolethanol acetylsalicylate is C18H18O6.
What is the molecular weight of 2-Guaiacolethanol acetylsalicylate?
The molecular weight of 2-Guaiacolethanol acetylsalicylate is 330.11 g/mol.
Where can I buy 2-Guaiacolethanol acetylsalicylate?
You can request a quote for 2-Guaiacolethanol acetylsalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Guaiacolethanol acetylsalicylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Guaiacolethanol acetylsalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.