1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro-
TL;DR: 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro- (CAS 139041-11-5) is a chemical compound with molecular formula C10H8N2 and molecular weight 156.06874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,5,6-tetrahydropentalene-1,4-dicarbonitrile
Also Known As: 2,3,5,6-tetrahydropentalene-1,4-dicarbonitrile, 1,4-pentalenedicarbonitrile, 2,3,5,6-tetrahydro-
Technical Specifications
| Molecular Formula | C10H8N2 |
| Molecular Weight | 156.06874 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.06874 Da |
| Heavy Atoms | 12 |
| Complexity | 352.0 |
| SMILES | C1CC2=C(CCC2=C1C#N)C#N |
| InChIKey | GGXJQAMGIBNAJD-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro-
Property Insights of 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro-. With a topological polar surface area (TPSA) of 47.6 Ų, 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro-?
The CAS number of 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro- is 139041-11-5.
What is the molecular formula of 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro-?
The molecular formula of 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro- is C10H8N2.
What is the molecular weight of 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro-?
The molecular weight of 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro- is 156.06874 g/mol.
Where can I buy 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro-?
You can request a quote for 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro-?
Yes, CoreyChem provides custom synthesis services for 1,4-Pentalenedicarbonitrile, 2,3,5,6-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.