![6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile structure](/static/products/3442/344262-46-0.webp)
6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile
TL;DR: 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile (CAS 344262-46-0) is a chemical compound with molecular formula C18H13N5O and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-oxo-4,5,9,13-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3(11),5,7,9,16,18,20-heptaene-7-carbonitrile
Also Known As: 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile, 12-oxo-4,5,9,13-tetraazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{16,21}]henicosa-3(11),5,7,9,16(21),17,19-heptaene-7-carbonitrile, 12-Oxo-4,5,9,13-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3(11),5,7,9,16,18,20-heptaene-7-carbonitrile, 12-oxo-4,5,9,13-tetraazapentacyclo[11.8.0.0(3),(1)(1).0?,?.0(1)?,(2)(1)]henicosa-3(11),5,7,9,16(21),17,19-heptaene-7-carbonitrile, 12-oxo-4,5,9,13-tetraazapentacyclo[11.8.0.0^{3,11}.0^{4,8}.0^{16,21}]henicosa-3(11),5,7,9,16,18,20-heptaene-7-carbonitrile
| Molecular Formula | C18H13N5O |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 1.89668 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 315.112 |
| Heavy Atoms | 24 |
| Complexity | 1045.234 |
Chemical Identifiers
| CAS Number | 344262-46-0 |
|---|---|
| SMILES | C1CN2C(CC3=C(C2=O)C=NC4=C(C=NN34)C#N)C5=CC=CC=C51 |
Product Overview
6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile (CAS 344262-46-0), with molecular formula C18H13N5O and molecular weight 315.11 g/mol. IUPAC: 12-oxo-4,5,9,13-tetrazapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-3(11),5,7,9,16,18,20-heptaene-7-carbonitrile.
Chemical Property Profile of 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile
Property Insights of 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile
The XLogP value of 1.89668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile has 0 hydrogen bond donor(s) and 4 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-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile?
The CAS number of 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile is 344262-46-0.
What is the molecular formula of 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile?
The molecular formula of 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile is C18H13N5O.
What is the molecular weight of 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile?
The molecular weight of 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile is 315.11 g/mol.
Where can I buy 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile?
You can request a quote for 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-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-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-oxo-8,9,13b,14-tetrahydro-6H-pyrazolo[5'',1'':2',3']pyrimido[4',5':4,5]pyrido[2,1-a]isoquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.