![3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one structure](/static/products/828/82827-33-6.png)
3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one
TL;DR: 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one (CAS 82827-33-6) is a chemical compound with molecular formula C14H6BrNO3 and molecular weight 314.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-bromo-10-hydroxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one
Also Known As: BAS 01121565, BIM-0021416.P001, 3-BROMO-5-HYDROXY-6H-ANTHRA[1,9-CD]ISOXAZOL-6-ONE, AB00086433-01, 3-Bromo-5-hydroxy-anthra[1,9-cd]isoxazol-6-one
| Molecular Formula | C14H6BrNO3 |
|---|---|
| Molecular Weight | 314.95 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.95312 |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 82827-33-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C(C=C(C4=NO3)Br)O)C2=O |
| InChIKey | YSUPUSOINSMHJU-UHFFFAOYSA-N |
Product Overview
3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one (CAS 82827-33-6), with molecular formula C14H6BrNO3 and molecular weight 314.95 g/mol. IUPAC: 12-bromo-10-hydroxy-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one.
Chemical Property Profile of 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one
Property Insights of 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one
The XLogP value of 3.8 indicates that 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one. Following Lipinski's Rule of Five, 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one 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 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one?
The CAS number of 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one is 82827-33-6.
What is the molecular formula of 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one?
The molecular formula of 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one is C14H6BrNO3.
What is the molecular weight of 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one?
The molecular weight of 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one is 314.95 g/mol.
Where can I buy 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one?
You can request a quote for 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-hydroxy-6H-anthra[1,9-CD]isoxazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.