6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl-
TL;DR: 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl- (CAS 139156-96-0) is a chemical compound with molecular formula C16H12N4 and molecular weight 260.1062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carbonitrile
Also Known As: 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl-, 5,6-Trimethylene-4-phenyl-7-cyanopyrrolo(3,2-d)pyrimidine, BIM-0014199.P001, 1-phenyl-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carbonitrile, 7,8-Dihydro-4-phenyl-6H-pyrimido(4,5-b)pyrrolizine-9-carbonitrile
Technical Specifications
| Molecular Formula | C16H12N4 |
| Molecular Weight | 260.1062 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.1062 Da |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
| SMILES | C1CC2=C(C3=C(N2C1)C(=NC=N3)C4=CC=CC=C4)C#N |
| InChIKey | KJIQKNBQPQRXBT-UHFFFAOYSA-N |
Chemical Property Profile of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl-
Property Insights of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl-. With a topological polar surface area (TPSA) of 54.5 Ų, 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl- 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
What is the CAS number of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl-?
The CAS number of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl- is 139156-96-0.
What is the molecular formula of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl-?
The molecular formula of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl- is C16H12N4.
What is the molecular weight of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl-?
The molecular weight of 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl- is 260.1062 g/mol.
Where can I buy 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl-?
You can request a quote for 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl-?
Yes, CoreyChem provides custom synthesis services for 6H-Pyrimido(4,5-b)pyrrolizine-9-carbonitrile, 7,8-dihydro-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.