1,4-Dihydroxy-2,3-naphthalenedicarbonitrile
TL;DR: 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile (CAS 101952-37-8) is a chemical compound with molecular formula C12H6N2O2 and molecular weight 210.04292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dihydroxynaphthalene-2,3-dicarbonitrile
Also Known As: 1,4-dihydroxynaphthalene-2,3-dicarbonitrile, 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile, 2,3-Naphthalenedicarbonitrile, 1,4-dihydroxy-, KST-1A9563, 2,3-Dicyan-naphthalindiol-(1,4)
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H6N2O2 |
| Molecular Weight | 210.04292 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.04292 Da |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(C(=C2O)C#N)C#N)O |
| InChIKey | JJBQXTABLSZHGC-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile
Property Insights of 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile
The XLogP value of 3.0 indicates that 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile. Following Lipinski's Rule of Five, 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile?
The CAS number of 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile is 101952-37-8.
What is the molecular formula of 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile?
The molecular formula of 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile is C12H6N2O2.
What is the molecular weight of 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile?
The molecular weight of 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile is 210.04292 g/mol.
Where can I buy 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile?
You can request a quote for 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.