n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide
TL;DR: n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide (CAS 1013504-57-8) is a chemical compound with molecular formula C13H17N3OS and molecular weight 263.10922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-3-oxo-2,4-dihydroquinoxaline-1-carbothioamide
Also Known As: n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide, N-butyl-3-oxo-2,4-dihydroquinoxaline-1-carbothioamide
Technical Specifications
| Molecular Formula | C13H17N3OS |
| Molecular Weight | 263.10922 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 76.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.10922 Da |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
| SMILES | CCCCNC(=S)N1CC(=O)NC2=CC=CC=C21 |
| InChIKey | XHXOJCABIYRFMD-UHFFFAOYSA-N |
Chemical Property Profile of n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide
Property Insights of n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide. Following Lipinski's Rule of Five, n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide?
The CAS number of n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide is 1013504-57-8.
What is the molecular formula of n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide?
The molecular formula of n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide is C13H17N3OS.
What is the molecular weight of n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide?
The molecular weight of n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide is 263.10922 g/mol.
Where can I buy n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide?
You can request a quote for n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide?
Yes, CoreyChem provides custom synthesis services for n-Butyl-3-oxo-3,4-dihydroquinoxaline-1(2h)-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.