![4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile structure](/static/products/902/902018-05-7.png)
4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
TL;DR: 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile (CAS 902018-05-7) is a chemical compound with molecular formula C23H21N3O2S and molecular weight 403.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-imino-9,10-dimethoxy-2-(4-methylsulfanylphenyl)-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile
Also Known As: 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile, 4-imino-9,10-dimethoxy-2-(4-methylsulfanylphenyl)-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile, 4-imino-9,10-dimethoxy-2-[4-(methylsulfanyl)phenyl]-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
| Molecular Formula | C23H21N3O2S |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 4.46845 |
| Topological Polar Surface Area | 71.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.13544 |
| Heavy Atoms | 29 |
| Complexity | 1190.7156 |
Chemical Identifiers
| CAS Number | 902018-05-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN3C2=CC(=C(C3=N)C#N)C4=CC=C(C=C4)SC)OC |
Product Overview
4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile (CAS 902018-05-7), with molecular formula C23H21N3O2S and molecular weight 403.14 g/mol. IUPAC: 4-imino-9,10-dimethoxy-2-(4-methylsulfanylphenyl)-6,7-dihydrobenzo[a]quinolizine-3-carbonitrile.
Chemical Property Profile of 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Property Insights of 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
The XLogP value of 4.46845 indicates that 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 5 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 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile?
The CAS number of 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile is 902018-05-7.
What is the molecular formula of 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile?
The molecular formula of 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile is C23H21N3O2S.
What is the molecular weight of 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile?
The molecular weight of 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile is 403.14 g/mol.
Where can I buy 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile?
You can request a quote for 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-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 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-imino-9,10-dimethoxy-2-(4-(methylthio)phenyl)-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.