Methyl acetylsalicylic acid
TL;DR: Methyl acetylsalicylic acid (CAS 580-02-9) 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 2-acetyloxybenzoate
Also Known As: Methyl acetylsalicylate, Methyl 2-Acetoxybenzoate, Methyl aspirin, Methylrhodine, Methyl rhodin
| Molecular Formula | C10H10O4 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0579 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 580-02-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OC |
| InChIKey | ONWPLBKWMAUFGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl acetylsalicylic acid (CAS 580-02-9), with molecular formula C10H10O4 and molecular weight 194.06 g/mol. IUPAC: methyl 2-acetyloxybenzoate.
Chemical Property Profile of Methyl acetylsalicylic acid
Property Insights of Methyl acetylsalicylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl acetylsalicylic acid. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl acetylsalicylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl acetylsalicylic acid has 0 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 acetylsalicylic acid?
The CAS number of Methyl acetylsalicylic acid is 580-02-9.
What is the molecular formula of Methyl acetylsalicylic acid?
The molecular formula of Methyl acetylsalicylic acid is C10H10O4.
What is the molecular weight of Methyl acetylsalicylic acid?
The molecular weight of Methyl acetylsalicylic acid is 194.06 g/mol.
Where can I buy Methyl acetylsalicylic acid?
You can request a quote for Methyl acetylsalicylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl acetylsalicylic acid?
Yes, KEHONG BIO provides custom synthesis services for Methyl acetylsalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.