![Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]- structure](/static/products/6843/68434-51-5.webp)
Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]-
TL;DR: Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]- (CAS 68434-51-5) is a chemical compound with molecular formula C18H13NO and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
Also Known As: 4-[(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile, Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]-, 4-((1-oxo-3,4-Dihydronaphthalen-2(1H)-ylidene)methyl)benzonitrile, 4-[(1-oxo-3,4-dihydronaphthalen-2(1H)-ylidene)methyl]benzonitrile, 4-[(3,4-Dihydro-1-oxo-2(1h)-naphthalenylidene)methyl]benzonitrile
| Molecular Formula | C18H13NO |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.0997 |
| Heavy Atoms | 20 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 68434-51-5 |
|---|---|
| SMILES | C1CC(=CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C31 |
| InChIKey | MENDGUCJODVXAP-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]- (CAS 68434-51-5), with molecular formula C18H13NO and molecular weight 259.10 g/mol. IUPAC: 4-[(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]-
Property Insights of Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]-
The XLogP value of 3.8 indicates that Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]- 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, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]-?
The CAS number of Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]- is 68434-51-5.
What is the molecular formula of Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]-?
The molecular formula of Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]- is C18H13NO.
What is the molecular weight of Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]-?
The molecular weight of Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]- is 259.10 g/mol.
Where can I buy Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]-?
You can request a quote for Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-[(3,4-dihydro-1-oxo-2(1H)-naphthalenylidene)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.