1-Cyano-4-methylnaphthalene
TL;DR: 1-Cyano-4-methylnaphthalene (CAS 175204-87-2) is a chemical compound with molecular formula C12H9N and molecular weight 167.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylnaphthalene-1-carbonitrile
Also Known As: 1-Cyano-4-methylnaphthalene, 4-Methyl-1-naphthonitrile, 4-methylnaphthalene-1-carbonitrile, 4-methylnaphthonitrile, 1-Naphthalenecarbonitrile,4-methyl-
| Molecular Formula | C12H9N |
|---|---|
| Molecular Weight | 167.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.0735 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 175204-87-2 |
|---|---|
| SMILES | CC1=CC=C(C2=CC=CC=C12)C#N |
| InChIKey | XDIWTJZAYBYKHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyano-4-methylnaphthalene (CAS 175204-87-2), with molecular formula C12H9N and molecular weight 167.07 g/mol. IUPAC: 4-methylnaphthalene-1-carbonitrile.
Chemical Property Profile of 1-Cyano-4-methylnaphthalene
Property Insights of 1-Cyano-4-methylnaphthalene
The XLogP value of 3.3 indicates that 1-Cyano-4-methylnaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 1-Cyano-4-methylnaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyano-4-methylnaphthalene has 0 hydrogen bond donor(s) and 1 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-Cyano-4-methylnaphthalene?
The CAS number of 1-Cyano-4-methylnaphthalene is 175204-87-2.
What is the molecular formula of 1-Cyano-4-methylnaphthalene?
The molecular formula of 1-Cyano-4-methylnaphthalene is C12H9N.
What is the molecular weight of 1-Cyano-4-methylnaphthalene?
The molecular weight of 1-Cyano-4-methylnaphthalene is 167.07 g/mol.
Where can I buy 1-Cyano-4-methylnaphthalene?
You can request a quote for 1-Cyano-4-methylnaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-4-methylnaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-4-methylnaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.