1-methoxy-1H-isoquinoline-2-carbonitrile
TL;DR: 1-methoxy-1H-isoquinoline-2-carbonitrile (CAS 830-59-1) is a chemical compound with molecular formula C11H10N2O and molecular weight 186.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-1H-isoquinoline-2-carbonitrile
Also Known As: 1-methoxy-1H-isoquinoline-2-carbonitrile, 1-Methoxyisoquinoline-2(1H)-carbonitrile, 2-cyano-1-methoxy-1,2-dihydroisoquinoline, J1.273.331C, 1-Methoxy-1,2-dihydroisoquinoline-2-carbonitrile
| Molecular Formula | C11H10N2O |
|---|---|
| Molecular Weight | 186.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.07932 |
| Heavy Atoms | 14 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 830-59-1 |
|---|---|
| SMILES | COC1C2=CC=CC=C2C=CN1C#N |
| InChIKey | IKZZDRVMLIQYPZ-UHFFFAOYSA-N |
Product Overview
1-methoxy-1H-isoquinoline-2-carbonitrile (CAS 830-59-1), with molecular formula C11H10N2O and molecular weight 186.08 g/mol. IUPAC: 1-methoxy-1H-isoquinoline-2-carbonitrile.
Chemical Property Profile of 1-methoxy-1H-isoquinoline-2-carbonitrile
Property Insights of 1-methoxy-1H-isoquinoline-2-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methoxy-1H-isoquinoline-2-carbonitrile. With a topological polar surface area (TPSA) of 36.3 Ų, 1-methoxy-1H-isoquinoline-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methoxy-1H-isoquinoline-2-carbonitrile has 0 hydrogen bond donor(s) and 3 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-methoxy-1H-isoquinoline-2-carbonitrile?
The CAS number of 1-methoxy-1H-isoquinoline-2-carbonitrile is 830-59-1.
What is the molecular formula of 1-methoxy-1H-isoquinoline-2-carbonitrile?
The molecular formula of 1-methoxy-1H-isoquinoline-2-carbonitrile is C11H10N2O.
What is the molecular weight of 1-methoxy-1H-isoquinoline-2-carbonitrile?
The molecular weight of 1-methoxy-1H-isoquinoline-2-carbonitrile is 186.08 g/mol.
Where can I buy 1-methoxy-1H-isoquinoline-2-carbonitrile?
You can request a quote for 1-methoxy-1H-isoquinoline-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methoxy-1H-isoquinoline-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-methoxy-1H-isoquinoline-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.