1,2-Naphthalenedicarbonitrile
TL;DR: 1,2-Naphthalenedicarbonitrile (CAS 19291-76-0) is a chemical compound with molecular formula C12H6N2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalene-1,2-dicarbonitrile
Also Known As: 1,2-Naphthalenedicarbonitrile, naphthalene-1,2-dicarbonitrile, dicyanonaphthalene, 1,2-Dicyanonaphthalene, I14-107160
| Molecular Formula | C12H6N2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.0531 |
| Heavy Atoms | 14 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 19291-76-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2C#N)C#N |
| InChIKey | ZNPWYAMBOPRTHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Naphthalenedicarbonitrile (CAS 19291-76-0), with molecular formula C12H6N2 and molecular weight 178.05 g/mol. IUPAC: naphthalene-1,2-dicarbonitrile.
Chemical Property Profile of 1,2-Naphthalenedicarbonitrile
Property Insights of 1,2-Naphthalenedicarbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Naphthalenedicarbonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 1,2-Naphthalenedicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Naphthalenedicarbonitrile 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 1,2-Naphthalenedicarbonitrile?
The CAS number of 1,2-Naphthalenedicarbonitrile is 19291-76-0.
What is the molecular formula of 1,2-Naphthalenedicarbonitrile?
The molecular formula of 1,2-Naphthalenedicarbonitrile is C12H6N2.
What is the molecular weight of 1,2-Naphthalenedicarbonitrile?
The molecular weight of 1,2-Naphthalenedicarbonitrile is 178.05 g/mol.
Where can I buy 1,2-Naphthalenedicarbonitrile?
You can request a quote for 1,2-Naphthalenedicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Naphthalenedicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Naphthalenedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.