1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy-
TL;DR: 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy- (CAS 62172-59-2) is a chemical compound with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-5,7-dimethoxy-1H-isoquinoline-1-carbonitrile
Also Known As: 2-acetyl-5,7-dimethoxy-1H-isoquinoline-1-carbonitrile, 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy-, 2-acetyl-5,7-dimethoxy-1,2-dihydroisoquinoline-1-carbonitrile, 2-acetyl-5,7-dimethoxy-1,2-dihydro-isoquinoline-1-carbonitrile
| Molecular Formula | C14H14N2O3 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | 2.10128 |
| Topological Polar Surface Area | 62.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.10043 |
| Heavy Atoms | 19 |
| Complexity | 587.08923 |
Chemical Identifiers
| CAS Number | 62172-59-2 |
|---|---|
| SMILES | CC(=O)N1C=CC2=C(C1C#N)C=C(C=C2OC)OC |
Product Overview
1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy- (CAS 62172-59-2), with molecular formula C14H14N2O3 and molecular weight 258.10 g/mol. IUPAC: 2-acetyl-5,7-dimethoxy-1H-isoquinoline-1-carbonitrile.
Chemical Property Profile of 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy-
Property Insights of 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy-
The XLogP value of 2.10128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy-. The TPSA of 62.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy-. Following Lipinski's Rule of Five, 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy- 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 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy-?
The CAS number of 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy- is 62172-59-2.
What is the molecular formula of 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy-?
The molecular formula of 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy- is C14H14N2O3.
What is the molecular weight of 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy-?
The molecular weight of 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy- is 258.10 g/mol.
Where can I buy 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy-?
You can request a quote for 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1-Isoquinolinecarbonitrile, 2-acetyl-1,2-dihydro-5,7-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.