6-Bromo-3-formylchromone
TL;DR: 6-Bromo-3-formylchromone (CAS 52817-12-6) is a chemical compound with molecular formula C10H5BrO3 and molecular weight 251.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-4-oxochromene-3-carbaldehyde
Also Known As: 6-Bromo-3-formylchromone, 6-Bromo-4-oxo-4H-chromene-3-carbaldehyde, 6-bromo-4-oxochromene-3-carbaldehyde, 6-Bromochromone-3-carboxaldehyde, 6-Bromochromone-3-carbaldehyde
| Molecular Formula | C10H5BrO3 |
|---|---|
| Molecular Weight | 251.94 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.94221 |
| Heavy Atoms | 14 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 52817-12-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=O)C(=CO2)C=O |
| InChIKey | PCEZXSJBHMOQFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Bromo-3-formylchromone (CAS 52817-12-6), with molecular formula C10H5BrO3 and molecular weight 251.94 g/mol. IUPAC: 6-bromo-4-oxochromene-3-carbaldehyde.
Chemical Property Profile of 6-Bromo-3-formylchromone
Property Insights of 6-Bromo-3-formylchromone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-3-formylchromone. With a topological polar surface area (TPSA) of 43.4 Ų, 6-Bromo-3-formylchromone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-3-formylchromone has 0 hydrogen bond donor(s) and 3 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-3-formylchromone?
The CAS number of 6-Bromo-3-formylchromone is 52817-12-6.
What is the molecular formula of 6-Bromo-3-formylchromone?
The molecular formula of 6-Bromo-3-formylchromone is C10H5BrO3.
What is the molecular weight of 6-Bromo-3-formylchromone?
The molecular weight of 6-Bromo-3-formylchromone is 251.94 g/mol.
Where can I buy 6-Bromo-3-formylchromone?
You can request a quote for 6-Bromo-3-formylchromone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-3-formylchromone?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-3-formylchromone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.