![Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate structure](/static/products/1024/1024083-53-1.webp)
Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate
TL;DR: Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate (CAS 1024083-53-1) is a chemical compound with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamothioyl-prop-2-ynylamino]benzoate
Also Known As: Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate, methyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamothioyl-prop-2-ynylamino]benzoate, Methyl 4-[(2,3-dimethylquinoxalin-6-yl)thiocarbamoyl-prop-2-ynyl-amino]benzoate, Methyl 4-{[(2,3-dimethylquinoxalin-6-yl)carbamothioyl](prop-2-yn-1-yl)amino}benzoate
| Molecular Formula | C22H20N4O2S |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 3.86984 |
| Topological Polar Surface Area | 67.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1307 |
| Heavy Atoms | 29 |
| Complexity | 1120.1007 |
Chemical Identifiers
| CAS Number | 1024083-53-1 |
|---|---|
| SMILES | CC1=C(N=C2C=C(C=CC2=N1)NC(=S)N(CC#C)C3=CC=C(C=C3)C(=O)OC)C |
Product Overview
Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate (CAS 1024083-53-1), with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol. IUPAC: methyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamothioyl-prop-2-ynylamino]benzoate.
Chemical Property Profile of Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate
Property Insights of Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate
The XLogP value of 3.86984 indicates that Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate 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 Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate?
The CAS number of Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate is 1024083-53-1.
What is the molecular formula of Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate?
The molecular formula of Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate is C22H20N4O2S.
What is the molecular weight of Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate?
The molecular weight of Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate is 404.13 g/mol.
Where can I buy Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate?
You can request a quote for Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[[(2,3-dimethyl-6-quinoxalinyl)amino]thioxomethyl]-2-propyn-1-ylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.