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Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]-
TL;DR: Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]- (CAS 685830-35-7) is a chemical compound with molecular formula C18H10N2 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-pyridin-2-ylhex-3-en-1,5-diynyl)benzonitrile
Also Known As: Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]-, 2-[6-(Pyridin-2-yl)hex-3-ene-1,5-diyn-1-yl]benzonitrile
| Molecular Formula | C18H10N2 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.0844 |
| Heavy Atoms | 20 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 685830-35-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=N2)C#N |
| InChIKey | XONMYKWSZBFFNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]- (CAS 685830-35-7), with molecular formula C18H10N2 and molecular weight 254.08 g/mol. IUPAC: 2-(6-pyridin-2-ylhex-3-en-1,5-diynyl)benzonitrile.
Chemical Property Profile of Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]-
Property Insights of Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]-
The XLogP value of 3.7 indicates that Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.7 Ų, Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]- 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 Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]-?
The CAS number of Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]- is 685830-35-7.
What is the molecular formula of Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]-?
The molecular formula of Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]- is C18H10N2.
What is the molecular weight of Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]-?
The molecular weight of Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]- is 254.08 g/mol.
Where can I buy Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]-?
You can request a quote for Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-[6-(2-pyridinyl)-3-hexene-1,5-diynyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.