1-Cyano-6-methoxynaphthalene
TL;DR: 1-Cyano-6-methoxynaphthalene (CAS 77029-01-7) is a chemical compound with molecular formula C12H9NO and molecular weight 183.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxynaphthalene-1-carbonitrile
Also Known As: 1-Cyano-6-methoxynaphthalene, 6-methoxy-1-naphthonitrile, 6-methoxynaphthalene-1-carbonitrile, 6-Methoxy-naphthalene-1-carbonitrile, 5-Cyano-2-methoxynaphthalene
| Molecular Formula | C12H9NO |
|---|---|
| Molecular Weight | 183.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.06842 |
| Heavy Atoms | 14 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 77029-01-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=CC=C2)C#N |
| InChIKey | PGQFNNJLLVRLLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyano-6-methoxynaphthalene (CAS 77029-01-7), with molecular formula C12H9NO and molecular weight 183.07 g/mol. IUPAC: 6-methoxynaphthalene-1-carbonitrile.
Chemical Property Profile of 1-Cyano-6-methoxynaphthalene
Property Insights of 1-Cyano-6-methoxynaphthalene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyano-6-methoxynaphthalene. With a topological polar surface area (TPSA) of 33.0 Ų, 1-Cyano-6-methoxynaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyano-6-methoxynaphthalene 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 1-Cyano-6-methoxynaphthalene?
The CAS number of 1-Cyano-6-methoxynaphthalene is 77029-01-7.
What is the molecular formula of 1-Cyano-6-methoxynaphthalene?
The molecular formula of 1-Cyano-6-methoxynaphthalene is C12H9NO.
What is the molecular weight of 1-Cyano-6-methoxynaphthalene?
The molecular weight of 1-Cyano-6-methoxynaphthalene is 183.07 g/mol.
Where can I buy 1-Cyano-6-methoxynaphthalene?
You can request a quote for 1-Cyano-6-methoxynaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-6-methoxynaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-6-methoxynaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.