3,4-Dihydroisoquinoline-2(1H)-carbonitrile
TL;DR: 3,4-Dihydroisoquinoline-2(1H)-carbonitrile (CAS 1705-22-2) is a chemical compound with molecular formula C10H10N2 and molecular weight 158.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-isoquinoline-2-carbonitrile
Also Known As: 3,4-Dihydroisoquinoline-2(1H)-carbonitrile, 2(1H)-Isoquinolinecarbonitrile, 3,4-dihydro-, 3,4-dihydro-1H-isoquinoline-2-carbonitrile, 3,4-dihydro-2-(1h)-isoquinolinecarbonitrile, J3.316.685K
| Molecular Formula | C10H10N2 |
|---|---|
| Molecular Weight | 158.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.0844 |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 1705-22-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C#N |
| InChIKey | JDANZQPMEFJIRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydroisoquinoline-2(1H)-carbonitrile (CAS 1705-22-2), with molecular formula C10H10N2 and molecular weight 158.08 g/mol. IUPAC: 3,4-dihydro-1H-isoquinoline-2-carbonitrile.
Chemical Property Profile of 3,4-Dihydroisoquinoline-2(1H)-carbonitrile
Property Insights of 3,4-Dihydroisoquinoline-2(1H)-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydroisoquinoline-2(1H)-carbonitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 3,4-Dihydroisoquinoline-2(1H)-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydroisoquinoline-2(1H)-carbonitrile has 0 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 3,4-Dihydroisoquinoline-2(1H)-carbonitrile?
The CAS number of 3,4-Dihydroisoquinoline-2(1H)-carbonitrile is 1705-22-2.
What is the molecular formula of 3,4-Dihydroisoquinoline-2(1H)-carbonitrile?
The molecular formula of 3,4-Dihydroisoquinoline-2(1H)-carbonitrile is C10H10N2.
What is the molecular weight of 3,4-Dihydroisoquinoline-2(1H)-carbonitrile?
The molecular weight of 3,4-Dihydroisoquinoline-2(1H)-carbonitrile is 158.08 g/mol.
Where can I buy 3,4-Dihydroisoquinoline-2(1H)-carbonitrile?
You can request a quote for 3,4-Dihydroisoquinoline-2(1H)-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydroisoquinoline-2(1H)-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroisoquinoline-2(1H)-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.