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6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile
TL;DR: 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile (CAS 66749-74-4) is a chemical compound with molecular formula C14H8N2O and molecular weight 220.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-oxobenzo[b]quinolizine-11-carbonitrile
Also Known As: 6-oxobenzo[b]quinolizine-11-carbonitrile, 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile
| Molecular Formula | C14H8N2O |
|---|---|
| Molecular Weight | 220.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.06366 |
| Heavy Atoms | 17 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 66749-74-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CN3C2=O)C#N |
| InChIKey | SJMXYZFPFLIMSR-UHFFFAOYSA-N |
Product Overview
6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile (CAS 66749-74-4), with molecular formula C14H8N2O and molecular weight 220.06 g/mol. IUPAC: 6-oxobenzo[b]quinolizine-11-carbonitrile.
Chemical Property Profile of 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile
Property Insights of 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile 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
Frequently Asked Questions
What is the CAS number of 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile?
The CAS number of 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile is 66749-74-4.
What is the molecular formula of 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile?
The molecular formula of 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile is C14H8N2O.
What is the molecular weight of 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile?
The molecular weight of 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile is 220.06 g/mol.
Where can I buy 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile?
You can request a quote for 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxo-6H-pyrido[1,2-b]isoquinoline-11-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.