Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate
TL;DR: Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate (CAS 62604-48-2) is a chemical compound with molecular formula C12H11N5O2S and molecular weight 289.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-(aminocarbamothioylhydrazinylidene)methyl]quinoline-4-carboxylic acid
Also Known As: 2-Formylcinchoninic acid 3-thiocarbazone hydrate, Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate, 4-Quinolinecarboxylic acid, 2-(((hydrazinothioxomethyl)hydrazono)methyl)-, monohydrate, RefChem:1081589
| Molecular Formula | C12H11N5O2S |
|---|---|
| Molecular Weight | 289.06 g/mol |
| LogP | 0.6047 |
| Topological Polar Surface Area | 112.63 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.06335 |
| Heavy Atoms | 20 |
| Complexity | 701.3072 |
Chemical Identifiers
| CAS Number | 62604-48-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=N2)/C=N/NC(=S)NN)C(=O)O |
Product Overview
Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate (CAS 62604-48-2), with molecular formula C12H11N5O2S and molecular weight 289.06 g/mol. IUPAC: 2-[(E)-(aminocarbamothioylhydrazinylidene)methyl]quinoline-4-carboxylic acid.
Chemical Property Profile of Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate
Property Insights of Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate
The XLogP value of 0.6047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate. The TPSA of 112.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate. Following Lipinski's Rule of Five, Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate has 4 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 Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate?
The CAS number of Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate is 62604-48-2.
What is the molecular formula of Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate?
The molecular formula of Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate is C12H11N5O2S.
What is the molecular weight of Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate?
The molecular weight of Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate is 289.06 g/mol.
Where can I buy Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate?
You can request a quote for Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Cinchoninic acid, 2-formyl-, 3-thiocarbazone, monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.