3-Cyano-6,8-dimethylchromone
TL;DR: 3-Cyano-6,8-dimethylchromone (CAS 50743-40-3) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dimethyl-4-oxochromene-3-carbonitrile
Also Known As: 3-Cyano-6,8-dimethylchromone, 3-Cyano-6 8-dimethylchromone, 6,8-dimethyl-4-oxochromene-3-carbonitrile, 6,8-Dimethyl-4-oxo-4H-1-benzopyran-3-carbonitrile, 6,8-DIMETHYL-4-OXO-4H-CHROMENE-3-CARBONITRILE
| Molecular Formula | C12H9NO2 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 2.28152 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.06332 |
| Heavy Atoms | 15 |
| Complexity | 632.33777 |
Chemical Identifiers
| CAS Number | 50743-40-3 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C(=O)C(=CO2)C#N)C |
Product Overview
3-Cyano-6,8-dimethylchromone (CAS 50743-40-3), with molecular formula C12H9NO2 and molecular weight 199.06 g/mol. IUPAC: 6,8-dimethyl-4-oxochromene-3-carbonitrile.
Chemical Property Profile of 3-Cyano-6,8-dimethylchromone
Property Insights of 3-Cyano-6,8-dimethylchromone
The XLogP value of 2.28152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-6,8-dimethylchromone. With a topological polar surface area (TPSA) of 54.0 Ų, 3-Cyano-6,8-dimethylchromone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyano-6,8-dimethylchromone 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 3-Cyano-6,8-dimethylchromone?
The CAS number of 3-Cyano-6,8-dimethylchromone is 50743-40-3.
What is the molecular formula of 3-Cyano-6,8-dimethylchromone?
The molecular formula of 3-Cyano-6,8-dimethylchromone is C12H9NO2.
What is the molecular weight of 3-Cyano-6,8-dimethylchromone?
The molecular weight of 3-Cyano-6,8-dimethylchromone is 199.06 g/mol.
Where can I buy 3-Cyano-6,8-dimethylchromone?
You can request a quote for 3-Cyano-6,8-dimethylchromone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-6,8-dimethylchromone?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-6,8-dimethylchromone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.