1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline
TL;DR: 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline (CAS 64890-46-6) is a chemical compound with molecular formula C11H10N2 and molecular weight 170.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetonitrile
Also Known As: 2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetonitrile, 1-cyanomethylidene-1,2,3,4-tetrahydroisoquinoline, 2-(3,4-dihydro-1(2h)-isoquinolinylidene)-acetonitrile
| Molecular Formula | C11H10N2 |
|---|---|
| Molecular Weight | 170.08 g/mol |
| LogP | 1.69678 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.0844 |
| Heavy Atoms | 13 |
| Complexity | 385.3219 |
Chemical Identifiers
| CAS Number | 64890-46-6 |
|---|---|
| SMILES | C1CNC(=CC#N)C2=CC=CC=C21 |
Product Overview
1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline (CAS 64890-46-6), with molecular formula C11H10N2 and molecular weight 170.08 g/mol. IUPAC: 2-(3,4-dihydro-2H-isoquinolin-1-ylidene)acetonitrile.
Chemical Property Profile of 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline
Property Insights of 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 1.69678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 35.82 Ų, 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline has 1 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 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline is 64890-46-6.
What is the molecular formula of 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline is C11H10N2.
What is the molecular weight of 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline is 170.08 g/mol.
Where can I buy 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyanomethylidene-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.