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5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile
TL;DR: 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile (CAS 37306-44-8) is a chemical compound with molecular formula C15H14N2O and molecular weight 238.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-1,2,3,4-tetrahydroazepino[2,1-a]isoquinoline-12b-carbonitrile
Also Known As: 5-oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile, 5-Oxo-1,2,3,4,5,12b-hexahydroazepino[2,1-a]isoquinoline-12b-carbonitrile, 5-oxo-1,2,3,4-tetrahydroazepino[2,1-a]isoquinoline-12b-carbonitrile, 5-oxo-1,2,3,4-tetrahydroazepino[2,1-a]isoquinoline-12b-carbo
| Molecular Formula | C15H14N2O |
|---|---|
| Molecular Weight | 238.11 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 | 238.11061 |
| Heavy Atoms | 18 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 37306-44-8 |
|---|---|
| SMILES | C1CCC2(C3=CC=CC=C3C=CN2C(=O)C1)C#N |
| InChIKey | WABSMAFGQAQSOR-UHFFFAOYSA-N |
Product Overview
5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile (CAS 37306-44-8), with molecular formula C15H14N2O and molecular weight 238.11 g/mol. IUPAC: 5-oxo-1,2,3,4-tetrahydroazepino[2,1-a]isoquinoline-12b-carbonitrile.
Chemical Property Profile of 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile
Property Insights of 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-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 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile?
The CAS number of 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile is 37306-44-8.
What is the molecular formula of 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile?
The molecular formula of 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile is C15H14N2O.
What is the molecular weight of 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile?
The molecular weight of 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile is 238.11 g/mol.
Where can I buy 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile?
You can request a quote for 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Oxo-2,3,4,5-tetrahydroazepino[2,1-a]isoquinoline-12b(1h)-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.