5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile
TL;DR: 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile (CAS 80829-92-1) is a chemical compound with molecular formula C12H7N3O2 and molecular weight 225.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile
Also Known As: 5-amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile
| Molecular Formula | C12H7N3O2 |
|---|---|
| Molecular Weight | 225.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.05383 |
| Heavy Atoms | 17 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 80829-92-1 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)N)C(=C(C(=C2O)C#N)C#N)O |
| InChIKey | CGGFUEBGZZJOCK-UHFFFAOYSA-N |
Product Overview
5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile (CAS 80829-92-1), with molecular formula C12H7N3O2 and molecular weight 225.05 g/mol. IUPAC: 5-amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile.
Chemical Property Profile of 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile
Property Insights of 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile. Following Lipinski's Rule of Five, 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile has 3 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-1,4-dihydroxynaphthalene-2,3-dicarbonitrile?
The CAS number of 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile is 80829-92-1.
What is the molecular formula of 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile?
The molecular formula of 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile is C12H7N3O2.
What is the molecular weight of 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile?
The molecular weight of 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile is 225.05 g/mol.
Where can I buy 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile?
You can request a quote for 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-1,4-dihydroxynaphthalene-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.