5-Bromo-2-acetylsalicylic acid
TL;DR: 5-Bromo-2-acetylsalicylic acid (CAS 1503-53-3) is a chemical compound with molecular formula C9H7BrO4 and molecular weight 257.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxy-5-bromobenzoic acid
Also Known As: Bromoaspirin, Sedasprin, 2-Acetoxy-5-bromobenzoic acid, 2-(Acetyloxy)-5-bromobenzoic acid, 2-acetyloxy-5-bromobenzoic acid
| Molecular Formula | C9H7BrO4 |
|---|---|
| Molecular Weight | 257.95 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.95276 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 1503-53-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)Br)C(=O)O |
| InChIKey | VRJBEVQGJOSGOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-2-acetylsalicylic acid (CAS 1503-53-3), with molecular formula C9H7BrO4 and molecular weight 257.95 g/mol. IUPAC: 2-acetyloxy-5-bromobenzoic acid.
Chemical Property Profile of 5-Bromo-2-acetylsalicylic acid
Property Insights of 5-Bromo-2-acetylsalicylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-acetylsalicylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-acetylsalicylic acid. Following Lipinski's Rule of Five, 5-Bromo-2-acetylsalicylic acid 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 5-Bromo-2-acetylsalicylic acid?
The CAS number of 5-Bromo-2-acetylsalicylic acid is 1503-53-3.
What is the molecular formula of 5-Bromo-2-acetylsalicylic acid?
The molecular formula of 5-Bromo-2-acetylsalicylic acid is C9H7BrO4.
What is the molecular weight of 5-Bromo-2-acetylsalicylic acid?
The molecular weight of 5-Bromo-2-acetylsalicylic acid is 257.95 g/mol.
Where can I buy 5-Bromo-2-acetylsalicylic acid?
You can request a quote for 5-Bromo-2-acetylsalicylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-acetylsalicylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-acetylsalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.