5-Amino-2,3-dicyano-1,4-naphthoquinone
TL;DR: 5-Amino-2,3-dicyano-1,4-naphthoquinone (CAS 68217-29-8) is a chemical compound with molecular formula C12H5N3O2 and molecular weight 223.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1,4-dioxonaphthalene-2,3-dicarbonitrile
Also Known As: 5-Amino-2,3-dicyano-1,4-naphthoquinone, 5-amino-1,4-dioxo-1,4-dihydronaphthalene-2,3-dicarbonitrile, 5-amino-1,4-dioxonaphthalene-2,3-dicarbonitrile, 5-Amino-23-dicyano-14-naphthoquinone, 2,3-Dicyano-5-amino-1,4-naphthoquinone
| Molecular Formula | C12H5N3O2 |
|---|---|
| Molecular Weight | 223.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.03818 |
| Heavy Atoms | 17 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 68217-29-8 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)N)C(=O)C(=C(C2=O)C#N)C#N |
| InChIKey | BNBGDHHYNYTXFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-2,3-dicyano-1,4-naphthoquinone (CAS 68217-29-8), with molecular formula C12H5N3O2 and molecular weight 223.04 g/mol. IUPAC: 5-amino-1,4-dioxonaphthalene-2,3-dicarbonitrile.
Chemical Property Profile of 5-Amino-2,3-dicyano-1,4-naphthoquinone
Property Insights of 5-Amino-2,3-dicyano-1,4-naphthoquinone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2,3-dicyano-1,4-naphthoquinone. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2,3-dicyano-1,4-naphthoquinone. Following Lipinski's Rule of Five, 5-Amino-2,3-dicyano-1,4-naphthoquinone has 1 hydrogen bond donor(s) and 5 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 5-Amino-2,3-dicyano-1,4-naphthoquinone?
The CAS number of 5-Amino-2,3-dicyano-1,4-naphthoquinone is 68217-29-8.
What is the molecular formula of 5-Amino-2,3-dicyano-1,4-naphthoquinone?
The molecular formula of 5-Amino-2,3-dicyano-1,4-naphthoquinone is C12H5N3O2.
What is the molecular weight of 5-Amino-2,3-dicyano-1,4-naphthoquinone?
The molecular weight of 5-Amino-2,3-dicyano-1,4-naphthoquinone is 223.04 g/mol.
Where can I buy 5-Amino-2,3-dicyano-1,4-naphthoquinone?
You can request a quote for 5-Amino-2,3-dicyano-1,4-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2,3-dicyano-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2,3-dicyano-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.