Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-
TL;DR: Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)- (CAS 121866-02-2) is a chemical compound with molecular formula C13H11N3O and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-4,4a,5,6-tetrahydro-2H-benzo[h]cinnoline-8-carbonitrile
Also Known As: (+-)-8-Cyano-4,4a,5,6-tetrahydrobenzo(h)cinnolin-3(2H)-one, (+-)-2,3,4,4a,5,6-Hexahydro-3-oxobenzo(h)cinnolin-8-carbonitrile, Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-, Benzo(h)cinnoline-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-, 4,4a,5,6-Tetrahydro-8-cyano-benzo[h]cinnolin-3(2H)-one
| Molecular Formula | C13H11N3O |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 1.34468 |
| Topological Polar Surface Area | 65.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.09021 |
| Heavy Atoms | 17 |
| Complexity | 568.5176 |
Chemical Identifiers
| CAS Number | 121866-02-2 |
|---|---|
| SMILES | C1CC2=C(C=CC(=C2)C#N)C3=NNC(=O)CC31 |
Product Overview
Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)- (CAS 121866-02-2), with molecular formula C13H11N3O and molecular weight 225.09 g/mol. IUPAC: 3-oxo-4,4a,5,6-tetrahydro-2H-benzo[h]cinnoline-8-carbonitrile.
Chemical Property Profile of Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-
Property Insights of Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-
The XLogP value of 1.34468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-. The TPSA of 65.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-. Following Lipinski's Rule of Five, Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)- has 1 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 Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-?
The CAS number of Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)- is 121866-02-2.
What is the molecular formula of Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-?
The molecular formula of Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)- is C13H11N3O.
What is the molecular weight of Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-?
The molecular weight of Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)- is 225.09 g/mol.
Where can I buy Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-?
You can request a quote for Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.