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 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-, 2,3-Dicyan-naphthalindiol-(1,4), 1,4-dihydroxy-2,3-dicyanonaphthalene
| Molecular Formula | C12H6N2O2 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.04292 |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 101952-37-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=C2O)C#N)C#N)O |
| InChIKey | JJBQXTABLSZHGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dihydroxy-2,3-naphthalenedicarbonitrile (CAS 101952-37-8), with molecular formula C12H6N2O2 and molecular weight 210.04 g/mol. IUPAC: 1,4-dihydroxynaphthalene-2,3-dicarbonitrile.
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
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 210.04 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydroxy-2,3-naphthalenedicarbonitrile?
Yes, KEHONG BIO 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.