4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran
TL;DR: 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran (CAS 28286-88-6) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dimethylpyran-4-ylidene)propanedinitrile
Also Known As: (2,6-Dimethyl-4H-pyran-4-ylidene)malononitrile, 2-(2,6-DIMETHYL-4H-PYRAN-4-YLIDENE)MALONONITRILE, 2-(2,6-dimethylpyran-4-ylidene)propanedinitrile, Propanedinitrile, (2,6-dimethyl-4H-pyran-4-ylidene)-, 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 28286-88-6 |
|---|---|
| SMILES | CC1=CC(=C(C#N)C#N)C=C(O1)C |
| InChIKey | XYBUCJYJVULPHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran (CAS 28286-88-6), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: 2-(2,6-dimethylpyran-4-ylidene)propanedinitrile.
Chemical Property Profile of 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran
Property Insights of 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran. With a topological polar surface area (TPSA) of 56.8 Ų, 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran 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 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran?
The CAS number of 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran is 28286-88-6.
What is the molecular formula of 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran?
The molecular formula of 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran is C10H8N2O.
What is the molecular weight of 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran?
The molecular weight of 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran is 172.06 g/mol.
Where can I buy 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran?
You can request a quote for 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dicyanomethylene)-2,6-dimethyl-4H-pyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.