4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide
TL;DR: 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide (CAS 894502-68-2) is a chemical compound with molecular formula C14H15N5O3S and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylcarbamothioylamino)-1-ethylpyrazole-5-carboxamide
Also Known As: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide, 4-[(1,3-benzodioxol-5-ylcarbamothioyl)amino]-1-ethyl-1H-pyrazole-5-carboxamide, 4-{[(1,3-benzodioxol-5-ylamino)carbonothioyl]amino}-1-ethyl-1H-pyrazole-5-carboxamide, 4-{[(2H-benzo[3,4-d]1,3-dioxolan-5-ylamino)thioxomethyl]amino}-1-ethylpyrazole -5-carboxamide
| Molecular Formula | C14H15N5O3S |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 1.5395 |
| Topological Polar Surface Area | 103.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.08957 |
| Heavy Atoms | 23 |
| Complexity | 773.7684 |
Chemical Identifiers
| CAS Number | 894502-68-2 |
|---|---|
| SMILES | CCN1C(=C(C=N1)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)N |
Product Overview
4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide (CAS 894502-68-2), with molecular formula C14H15N5O3S and molecular weight 333.09 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylcarbamothioylamino)-1-ethylpyrazole-5-carboxamide.
Chemical Property Profile of 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide
Property Insights of 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide
The XLogP value of 1.5395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide. The TPSA of 103.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide. Following Lipinski's Rule of Five, 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide 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 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide?
The CAS number of 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide is 894502-68-2.
What is the molecular formula of 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide?
The molecular formula of 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide is C14H15N5O3S.
What is the molecular weight of 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide?
The molecular weight of 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide is 333.09 g/mol.
Where can I buy 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide?
You can request a quote for 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzodioxol-5-ylcarbamothioylamino)-2-ethylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.