Acetylsalicylsalicylic acid
TL;DR: Acetylsalicylsalicylic acid (CAS 530-75-6) is a chemical compound with molecular formula C16H12O6 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-acetyloxybenzoyl)oxybenzoic acid
Also Known As: ACETYLSALICYLSALICYLIC ACID, 2-((2-Acetoxybenzoyl)oxy)benzoic acid, DIPLOSALSALATE, Acesalum, Diplosal Acetate
| Molecular Formula | C16H12O6 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.0634 |
| Heavy Atoms | 22 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 530-75-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC=C2C(=O)O |
| InChIKey | DDSFKIFGAPZBSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetylsalicylsalicylic acid (CAS 530-75-6), with molecular formula C16H12O6 and molecular weight 300.06 g/mol. IUPAC: 2-(2-acetyloxybenzoyl)oxybenzoic acid.
Chemical Property Profile of Acetylsalicylsalicylic acid
Property Insights of Acetylsalicylsalicylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylsalicylsalicylic acid. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylsalicylsalicylic acid. Following Lipinski's Rule of Five, Acetylsalicylsalicylic acid 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 Acetylsalicylsalicylic acid?
The CAS number of Acetylsalicylsalicylic acid is 530-75-6.
What is the molecular formula of Acetylsalicylsalicylic acid?
The molecular formula of Acetylsalicylsalicylic acid is C16H12O6.
What is the molecular weight of Acetylsalicylsalicylic acid?
The molecular weight of Acetylsalicylsalicylic acid is 300.06 g/mol.
Where can I buy Acetylsalicylsalicylic acid?
You can request a quote for Acetylsalicylsalicylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylsalicylsalicylic acid?
Yes, KEHONG BIO provides custom synthesis services for Acetylsalicylsalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.