2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate
TL;DR: 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate (CAS 3478-10-2) is a chemical compound with molecular formula C19H20O6 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-3-(2-methylphenoxy)propyl] 2-acetyloxybenzoate
Also Known As: 2-hydroxy-3-(2-methylphenoxy)propyl 2-acetoxybenzoate, 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate, 2-hydroxy-3-(2-methylphenoxy)propyl 2-(acetyloxy)benzoate, [2-hydroxy-3-(2-methylphenoxy)propyl] 2-acetyloxybenzoate, Salicylic acid acetate, 2-hydroxy-3-(o-tolyloxy)propyl ester
| Molecular Formula | C19H20O6 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 344.12598 |
| Heavy Atoms | 25 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 3478-10-2 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(COC(=O)C2=CC=CC=C2OC(=O)C)O |
| InChIKey | XWMBLLILMKLCFO-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate (CAS 3478-10-2), with molecular formula C19H20O6 and molecular weight 344.13 g/mol. IUPAC: [2-hydroxy-3-(2-methylphenoxy)propyl] 2-acetyloxybenzoate.
Chemical Property Profile of 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate
Property Insights of 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate. Following Lipinski's Rule of Five, 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate has 1 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-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate?
The CAS number of 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate is 3478-10-2.
What is the molecular formula of 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate?
The molecular formula of 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate is C19H20O6.
What is the molecular weight of 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate?
The molecular weight of 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate is 344.13 g/mol.
Where can I buy 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate?
You can request a quote for 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.