![Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate structure](/static/products/680/680216-38-0.png)
Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate
TL;DR: Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate (CAS 680216-38-0) is a chemical compound with molecular formula C10H14N4O3S and molecular weight 270.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate
Also Known As: Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate, ethyl 4-{1-[(carbamothioylamino)imino]ethyl}-5-methyl-1,2-oxazole-3-carboxylate
| Molecular Formula | C10H14N4O3S |
|---|---|
| Molecular Weight | 270.08 g/mol |
| LogP | 0.71692 |
| Topological Polar Surface Area | 102.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.07867 |
| Heavy Atoms | 18 |
| Complexity | 495.3123 |
Chemical Identifiers
| CAS Number | 680216-38-0 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(=C1/C(=N/NC(=S)N)/C)C |
Product Overview
Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate (CAS 680216-38-0), with molecular formula C10H14N4O3S and molecular weight 270.08 g/mol. IUPAC: ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate
Property Insights of Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate
The XLogP value of 0.71692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate. The TPSA of 102.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate has 2 hydrogen bond donor(s) and 6 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 Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate?
The CAS number of Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate is 680216-38-0.
What is the molecular formula of Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate?
The molecular formula of Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate is C10H14N4O3S.
What is the molecular weight of Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate?
The molecular weight of Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate is 270.08 g/mol.
Where can I buy Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate?
You can request a quote for Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(E)-N-(carbamothioylamino)-C-methylcarbonimidoyl]-5-methyl-1,2-oxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.