1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro-
TL;DR: 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro- (CAS 57964-40-6) 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-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
Also Known As: starbld0004168, 4-Cyano-1,2,3,4-tetrahydro-1-naphthaleneacetonitrile, 4-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile, 4-cyano-1,2,3,4-tetrahydro-1-naphthalenepropionitrile, 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro-
| Molecular Formula | C14H14N2 |
|---|---|
| Molecular Weight | 210.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.11569 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 57964-40-6 |
|---|---|
| SMILES | C1CC(C2=CC=CC=C2C1CCC#N)C#N |
| InChIKey | JRUGFHHEKLYFPC-UHFFFAOYSA-N |
Product Overview
1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro- (CAS 57964-40-6), with molecular formula C14H14N2 and molecular weight 210.12 g/mol. IUPAC: 4-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile.
Chemical Property Profile of 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro-
Property Insights of 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro-. With a topological polar surface area (TPSA) of 47.6 Ų, 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro- 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 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro-?
The CAS number of 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro- is 57964-40-6.
What is the molecular formula of 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro-?
The molecular formula of 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro- is C14H14N2.
What is the molecular weight of 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro-?
The molecular weight of 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro- is 210.12 g/mol.
Where can I buy 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro-?
You can request a quote for 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.