![Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate structure](/static/products/4942/494218-84-7.webp)
Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate
TL;DR: Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate (CAS 494218-84-7) is a chemical compound with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate
Also Known As: butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate, butyl 4-({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]carbamothioyl}amino)benzoate, butyl 4-(3-(1-ethyl-1H-pyrazole-4-carbonyl)thioureido)benzoate, butyl 4-[({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}carbothioyl)amino]benzoate, Butyl 4-[(1-ethylpyrazole-4-carbonyl)thiocarbamoylamino]benzoate
| Molecular Formula | C18H22N4O3S |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 2.9867 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.14127 |
| Heavy Atoms | 26 |
| Complexity | 770.99835 |
Chemical Identifiers
| CAS Number | 494218-84-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CN(N=C2)CC |
Product Overview
Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate (CAS 494218-84-7), with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol. IUPAC: butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate.
Chemical Property Profile of Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate
Property Insights of Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate
The XLogP value of 2.9867 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate has 2 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 Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate?
The CAS number of Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate is 494218-84-7.
What is the molecular formula of Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate?
The molecular formula of Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate is C18H22N4O3S.
What is the molecular weight of Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate?
The molecular weight of Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate is 374.14 g/mol.
Where can I buy Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate?
You can request a quote for Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.