Methyl 5-acetylsalicylate
TL;DR: Methyl 5-acetylsalicylate (CAS 16475-90-4) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetyl-2-hydroxybenzoate
Also Known As: Methyl 5-acetylsalicylate, Methyl 5-Acetyl-2-hydroxybenzoate, Octanal-d16, Methyl acetylsalicylate, 5-Acetylsalicylic Acid Methyl Ester
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 16475-90-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)O)C(=O)OC |
| InChIKey | XLSMGNNWSRNTIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-acetylsalicylate (CAS 16475-90-4), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: methyl 5-acetyl-2-hydroxybenzoate.
Chemical Property Profile of Methyl 5-acetylsalicylate
Property Insights of Methyl 5-acetylsalicylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-acetylsalicylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-acetylsalicylate. Following Lipinski's Rule of Five, Methyl 5-acetylsalicylate has 1 hydrogen bond donor(s) and 4 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 Methyl 5-acetylsalicylate?
The CAS number of Methyl 5-acetylsalicylate is 16475-90-4.
What is the molecular formula of Methyl 5-acetylsalicylate?
The molecular formula of Methyl 5-acetylsalicylate is C10H10O4.
What is the molecular weight of Methyl 5-acetylsalicylate?
The molecular weight of Methyl 5-acetylsalicylate is 194.06 g/mol.
Where can I buy Methyl 5-acetylsalicylate?
You can request a quote for Methyl 5-acetylsalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-acetylsalicylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-acetylsalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.