Brocrinat
TL;DR: Brocrinat (CAS 72481-99-3) is a chemical compound with molecular formula C15H9BrFNO4 and molecular weight 364.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[7-bromo-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid
Also Known As: BROCRINAT, Brocrinate, Brocrinatum, Acido halocrinico, Acide halocrinique
| Molecular Formula | C15H9BrFNO4 |
|---|---|
| Molecular Weight | 364.97 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.9699 |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 72481-99-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NOC3=C2C=CC(=C3Br)OCC(=O)O)F |
| InChIKey | QWOLGQYXAQSNAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brocrinat (CAS 72481-99-3), with molecular formula C15H9BrFNO4 and molecular weight 364.97 g/mol. IUPAC: 2-[[7-bromo-3-(2-fluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetic acid.
Chemical Property Profile of Brocrinat
Property Insights of Brocrinat
The XLogP value of 3.7 indicates that Brocrinat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Brocrinat. Following Lipinski's Rule of Five, Brocrinat 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 Brocrinat?
The CAS number of Brocrinat is 72481-99-3.
What is the molecular formula of Brocrinat?
The molecular formula of Brocrinat is C15H9BrFNO4.
What is the molecular weight of Brocrinat?
The molecular weight of Brocrinat is 364.97 g/mol.
Where can I buy Brocrinat?
You can request a quote for Brocrinat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brocrinat?
Yes, KEHONG BIO provides custom synthesis services for Brocrinat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.