Bromoaspirin
TL;DR: Bromoaspirin (CAS 81859-19-0) 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-(2-bromoacetyl)oxybenzoic acid
Also Known As: Bromoaspirin, 2-Bromoacetoxybenzoic acid, bromoacetylsalicylic acid, bromacetyl salicylic acid, 2-[(bromoacetyl)oxy]benzoic acid
| Molecular Formula | C9H7BrO4 |
|---|---|
| Molecular Weight | 257.95 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.95276 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 81859-19-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)OC(=O)CBr |
| InChIKey | XZDQOJMDSZULKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromoaspirin (CAS 81859-19-0), with molecular formula C9H7BrO4 and molecular weight 257.95 g/mol. IUPAC: 2-(2-bromoacetyl)oxybenzoic acid.
Chemical Property Profile of Bromoaspirin
Property Insights of Bromoaspirin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromoaspirin. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromoaspirin. Following Lipinski's Rule of Five, Bromoaspirin 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 Bromoaspirin?
The CAS number of Bromoaspirin is 81859-19-0.
What is the molecular formula of Bromoaspirin?
The molecular formula of Bromoaspirin is C9H7BrO4.
What is the molecular weight of Bromoaspirin?
The molecular weight of Bromoaspirin is 257.95 g/mol.
Where can I buy Bromoaspirin?
You can request a quote for Bromoaspirin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromoaspirin?
Yes, KEHONG BIO provides custom synthesis services for Bromoaspirin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.