4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
TL;DR: 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile (CAS 57964-39-3) is a chemical compound with molecular formula C14H14N2 and molecular weight 210.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
Also Known As: 4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile, Styrene-acrylonitrile trimer, 4-(1-cyanoethyl)tetralin-1-carbonitrile, 2-[1-(4-Cyano-1,2,3,4-tetrahydronaphthyl)]propanenitrile, 1-Naphthaleneacetonitrile, 4-cyano-1,2,3,4-tetrahydro-alpha-methyl-
| Molecular Formula | C14H14N2 |
|---|---|
| Molecular Weight | 210.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.11569 |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 57964-39-3 |
|---|---|
| SMILES | CC(C#N)C1CCC(C2=CC=CC=C12)C#N |
| InChIKey | FDTQTOKRWQJRAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile (CAS 57964-39-3), with molecular formula C14H14N2 and molecular weight 210.12 g/mol. IUPAC: 4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile.
Chemical Property Profile of 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
Property Insights of 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-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 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The CAS number of 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile is 57964-39-3.
What is the molecular formula of 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The molecular formula of 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile is C14H14N2.
What is the molecular weight of 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
The molecular weight of 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile is 210.12 g/mol.
Where can I buy 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
You can request a quote for 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.