5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile
TL;DR: 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile (CAS 165558-64-5) is a chemical compound with molecular formula C12H7ClN2O2 and molecular weight 246.0196 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-4-methyl-8-nitronaphthalene-1-carbonitrile
Also Known As: 1-Naphthalenecarbonitrile, 5-chloro-4-methyl-8-nitro-, 5-chloro-4-methyl-8-nitro-naphthalene-1-carbonitrile
Technical Specifications
| Molecular Formula | C12H7ClN2O2 |
| Molecular Weight | 246.0196 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.0196 Da |
| Heavy Atoms | 17 |
| Complexity | 359.0 |
| SMILES | CC1=C2C(=CC=C(C2=C(C=C1)C#N)[N+](=O)[O-])Cl |
| InChIKey | MWCOXUBQODAVRG-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile
Property Insights of 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile
The XLogP value of 3.7 indicates that 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile. Following Lipinski's Rule of Five, 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile?
The CAS number of 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile is 165558-64-5.
What is the molecular formula of 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile?
The molecular formula of 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile is C12H7ClN2O2.
What is the molecular weight of 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile?
The molecular weight of 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile is 246.0196 g/mol.
Where can I buy 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile?
You can request a quote for 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-4-methyl-8-nitronaphthalene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.