4-Acetyl-1-naphthonitrile
TL;DR: 4-Acetyl-1-naphthonitrile (CAS 29139-00-2) is a chemical compound with molecular formula C13H9NO and molecular weight 195.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetylnaphthalene-1-carbonitrile
Also Known As: 4-Acetyl-1-naphthonitrile, 4-acetylnaphthalene-1-carbonitrile, 1-Naphthalenecarbonitrile, 4-acetyl-, BTPRXQUUNYLAEO-UHFFFAOYSA-, 4-Acetyl-naphthalene-1-carbonitrile
| Molecular Formula | C13H9NO |
|---|---|
| Molecular Weight | 195.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.06842 |
| Heavy Atoms | 15 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 29139-00-2 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C2=CC=CC=C21)C#N |
| InChIKey | BTPRXQUUNYLAEO-UHFFFAOYSA-N |
Product Overview
4-Acetyl-1-naphthonitrile (CAS 29139-00-2), with molecular formula C13H9NO and molecular weight 195.07 g/mol. IUPAC: 4-acetylnaphthalene-1-carbonitrile.
Chemical Property Profile of 4-Acetyl-1-naphthonitrile
Property Insights of 4-Acetyl-1-naphthonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-1-naphthonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 4-Acetyl-1-naphthonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetyl-1-naphthonitrile 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-Acetyl-1-naphthonitrile?
The CAS number of 4-Acetyl-1-naphthonitrile is 29139-00-2.
What is the molecular formula of 4-Acetyl-1-naphthonitrile?
The molecular formula of 4-Acetyl-1-naphthonitrile is C13H9NO.
What is the molecular weight of 4-Acetyl-1-naphthonitrile?
The molecular weight of 4-Acetyl-1-naphthonitrile is 195.07 g/mol.
Where can I buy 4-Acetyl-1-naphthonitrile?
You can request a quote for 4-Acetyl-1-naphthonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyl-1-naphthonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-1-naphthonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.