6-Bromochromone-3-carbonitrile
TL;DR: 6-Bromochromone-3-carbonitrile (CAS 175135-33-8) is a chemical compound with molecular formula C10H4BrNO2 and molecular weight 248.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-4-oxochromene-3-carbonitrile
Also Known As: 6-Bromo-3-cyanochromone, 6-bromo-4-oxo-4h-chromene-3-carbonitrile, 6-bromo-4-oxochromene-3-carbonitrile, 6-Bromochromone-3-carbonitrile, 3-Cyano-6-bromochromon
| Molecular Formula | C10H4BrNO2 |
|---|---|
| Molecular Weight | 248.94 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.94254 |
| Heavy Atoms | 14 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 175135-33-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C(=O)C(=CO2)C#N |
| InChIKey | MGVVCEKLWMZFLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Bromochromone-3-carbonitrile (CAS 175135-33-8), with molecular formula C10H4BrNO2 and molecular weight 248.94 g/mol. IUPAC: 6-bromo-4-oxochromene-3-carbonitrile.
Chemical Property Profile of 6-Bromochromone-3-carbonitrile
Property Insights of 6-Bromochromone-3-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromochromone-3-carbonitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 6-Bromochromone-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromochromone-3-carbonitrile 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-Bromochromone-3-carbonitrile?
The CAS number of 6-Bromochromone-3-carbonitrile is 175135-33-8.
What is the molecular formula of 6-Bromochromone-3-carbonitrile?
The molecular formula of 6-Bromochromone-3-carbonitrile is C10H4BrNO2.
What is the molecular weight of 6-Bromochromone-3-carbonitrile?
The molecular weight of 6-Bromochromone-3-carbonitrile is 248.94 g/mol.
Where can I buy 6-Bromochromone-3-carbonitrile?
You can request a quote for 6-Bromochromone-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromochromone-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromochromone-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.