6,8-Dichloro-3-cyanochromone
TL;DR: 6,8-Dichloro-3-cyanochromone (CAS 735-46-6) is a chemical compound with molecular formula C10H3Cl2NO2 and molecular weight 238.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dichloro-4-oxochromene-3-carbonitrile
Also Known As: 6,8-Dichloro-3-cyanochromone, 6,8-dichloro-4-oxo-4h-chromene-3-carbonitrile, 6,8-dichloro-4-oxochromene-3-carbonitrile, 6,8-Dichlorochromone-3-carbonitrile, 3-Cyano-6,8-dichlorochromon
| Molecular Formula | C10H3Cl2NO2 |
|---|---|
| Molecular Weight | 238.95 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.95409 |
| Heavy Atoms | 15 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 735-46-6 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C(=O)C(=CO2)C#N)Cl)Cl |
| InChIKey | YERQUFAYRCSXEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,8-Dichloro-3-cyanochromone (CAS 735-46-6), with molecular formula C10H3Cl2NO2 and molecular weight 238.95 g/mol. IUPAC: 6,8-dichloro-4-oxochromene-3-carbonitrile.
Chemical Property Profile of 6,8-Dichloro-3-cyanochromone
Property Insights of 6,8-Dichloro-3-cyanochromone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Dichloro-3-cyanochromone. With a topological polar surface area (TPSA) of 50.1 Ų, 6,8-Dichloro-3-cyanochromone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-Dichloro-3-cyanochromone 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 6,8-Dichloro-3-cyanochromone?
The CAS number of 6,8-Dichloro-3-cyanochromone is 735-46-6.
What is the molecular formula of 6,8-Dichloro-3-cyanochromone?
The molecular formula of 6,8-Dichloro-3-cyanochromone is C10H3Cl2NO2.
What is the molecular weight of 6,8-Dichloro-3-cyanochromone?
The molecular weight of 6,8-Dichloro-3-cyanochromone is 238.95 g/mol.
Where can I buy 6,8-Dichloro-3-cyanochromone?
You can request a quote for 6,8-Dichloro-3-cyanochromone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-Dichloro-3-cyanochromone?
Yes, KEHONG BIO provides custom synthesis services for 6,8-Dichloro-3-cyanochromone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.