1-Amino-8-cyanonaphthalene
TL;DR: 1-Amino-8-cyanonaphthalene (CAS 38515-13-8) is a chemical compound with molecular formula C11H8N2 and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-aminonaphthalene-1-carbonitrile
Also Known As: 1-Amino-8-cyanonaphthalene, 8-aminonaphthalene-1-carbonitrile, 8-Amino-1-naphthonitrile, 8-Amino-1-naphthonitrile #, 8-Amino-naphthalene-1-carbonitrile
| Molecular Formula | C11H8N2 |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.06874 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 38515-13-8 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)C#N)C(=CC=C2)N |
| InChIKey | YYSZFCCXQARUOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Amino-8-cyanonaphthalene (CAS 38515-13-8), with molecular formula C11H8N2 and molecular weight 168.07 g/mol. IUPAC: 8-aminonaphthalene-1-carbonitrile.
Chemical Property Profile of 1-Amino-8-cyanonaphthalene
Property Insights of 1-Amino-8-cyanonaphthalene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-8-cyanonaphthalene. With a topological polar surface area (TPSA) of 49.8 Ų, 1-Amino-8-cyanonaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Amino-8-cyanonaphthalene has 1 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-Amino-8-cyanonaphthalene?
The CAS number of 1-Amino-8-cyanonaphthalene is 38515-13-8.
What is the molecular formula of 1-Amino-8-cyanonaphthalene?
The molecular formula of 1-Amino-8-cyanonaphthalene is C11H8N2.
What is the molecular weight of 1-Amino-8-cyanonaphthalene?
The molecular weight of 1-Amino-8-cyanonaphthalene is 168.07 g/mol.
Where can I buy 1-Amino-8-cyanonaphthalene?
You can request a quote for 1-Amino-8-cyanonaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-8-cyanonaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-8-cyanonaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.