6-bromo-4H-chromen-4-one
TL;DR: 6-bromo-4H-chromen-4-one (CAS 51483-92-2) is a chemical compound with molecular formula C9H5BrO2 and molecular weight 223.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromochromen-4-one
Also Known As: 6-Bromochromone, 6-Bromo-4H-chromen-4-one, 6-bromochromen-4-one, 6-Bromochromone, 98%, 6-Bromo-4-oxo-4H-1-benzopyran
| Molecular Formula | C9H5BrO2 |
|---|---|
| Molecular Weight | 223.95 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.9473 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 51483-92-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=O)C=CO2 |
| InChIKey | XVNBWGGBXOJIDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-bromo-4H-chromen-4-one (CAS 51483-92-2), with molecular formula C9H5BrO2 and molecular weight 223.95 g/mol. IUPAC: 6-bromochromen-4-one.
Chemical Property Profile of 6-bromo-4H-chromen-4-one
Property Insights of 6-bromo-4H-chromen-4-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-bromo-4H-chromen-4-one. With a topological polar surface area (TPSA) of 26.3 Ų, 6-bromo-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-bromo-4H-chromen-4-one has 0 hydrogen bond donor(s) and 2 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 6-bromo-4H-chromen-4-one?
The CAS number of 6-bromo-4H-chromen-4-one is 51483-92-2.
What is the molecular formula of 6-bromo-4H-chromen-4-one?
The molecular formula of 6-bromo-4H-chromen-4-one is C9H5BrO2.
What is the molecular weight of 6-bromo-4H-chromen-4-one?
The molecular weight of 6-bromo-4H-chromen-4-one is 223.95 g/mol.
Where can I buy 6-bromo-4H-chromen-4-one?
You can request a quote for 6-bromo-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-bromo-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.