Naphthalene-1,4-dicarbonitrile
TL;DR: Naphthalene-1,4-dicarbonitrile (CAS 3029-30-9) 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-1,4-dicarbonitrile
Also Known As: Naphthalene-1,4-dicarbonitrile, 1,4-Dicyanonaphthalene, 1,4-Naphthalenedicarbonitrile, 1,4-Dicyanonahthalene, ghl.PD_Mitscher_leg0.246
| Molecular Formula | C12H6N2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 2.8 |
| 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 | 271.0 |
Chemical Identifiers
| CAS Number | 3029-30-9 |
|---|---|
| SMILES | C1=CC=C2C(=CC=C(C2=C1)C#N)C#N |
| InChIKey | BENSWQOUPJQWMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naphthalene-1,4-dicarbonitrile (CAS 3029-30-9), with molecular formula C12H6N2 and molecular weight 178.05 g/mol. IUPAC: naphthalene-1,4-dicarbonitrile.
Chemical Property Profile of Naphthalene-1,4-dicarbonitrile
Property Insights of Naphthalene-1,4-dicarbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naphthalene-1,4-dicarbonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, Naphthalene-1,4-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Naphthalene-1,4-dicarbonitrile 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 Naphthalene-1,4-dicarbonitrile?
The CAS number of Naphthalene-1,4-dicarbonitrile is 3029-30-9.
What is the molecular formula of Naphthalene-1,4-dicarbonitrile?
The molecular formula of Naphthalene-1,4-dicarbonitrile is C12H6N2.
What is the molecular weight of Naphthalene-1,4-dicarbonitrile?
The molecular weight of Naphthalene-1,4-dicarbonitrile is 178.05 g/mol.
Where can I buy Naphthalene-1,4-dicarbonitrile?
You can request a quote for Naphthalene-1,4-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalene-1,4-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Naphthalene-1,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.