Broxitalamic Acid
TL;DR: Broxitalamic Acid (CAS 86216-41-3) is a chemical compound with molecular formula C12H11Br3N2O5 and molecular weight 499.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-2,4,6-tribromo-5-(2-hydroxyethylcarbamoyl)benzoic acid
Also Known As: Broxitalamic acid, Broxitalaminsaeure, Broxitalamicacid, acido broxitalamico, acide broxitalamique
| Molecular Formula | C12H11Br3N2O5 |
|---|---|
| Molecular Weight | 499.82 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.8218 |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 86216-41-3 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1Br)C(=O)O)Br)C(=O)NCCO)Br |
| InChIKey | HGWOCGUIQUERSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Broxitalamic Acid (CAS 86216-41-3), with molecular formula C12H11Br3N2O5 and molecular weight 499.82 g/mol. IUPAC: 3-acetamido-2,4,6-tribromo-5-(2-hydroxyethylcarbamoyl)benzoic acid.
Chemical Property Profile of Broxitalamic Acid
Property Insights of Broxitalamic Acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Broxitalamic Acid. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Broxitalamic Acid. Following Lipinski's Rule of Five, Broxitalamic Acid has 4 hydrogen bond donor(s) and 5 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 Broxitalamic Acid?
The CAS number of Broxitalamic Acid is 86216-41-3.
What is the molecular formula of Broxitalamic Acid?
The molecular formula of Broxitalamic Acid is C12H11Br3N2O5.
What is the molecular weight of Broxitalamic Acid?
The molecular weight of Broxitalamic Acid is 499.82 g/mol.
Where can I buy Broxitalamic Acid?
You can request a quote for Broxitalamic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Broxitalamic Acid?
Yes, KEHONG BIO provides custom synthesis services for Broxitalamic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.