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Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate
TL;DR: Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate (CAS 338408-87-0) is a chemical compound with molecular formula C11H11N3O4S and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methyl-4-(1,3-thiazol-2-ylcarbamoyl)-1,2-oxazole-3-carboxylate
Also Known As: Ethyl 5-methyl-4-(thiazol-2-ylcarbamoyl)isoxazole-3-carboxylate, ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate, ethyl 5-methyl-4-(1,3-thiazol-2-ylcarbamoyl)-1,2-oxazole-3-carboxylate, ethylmethylthiazolylaminocarbonylisoxazolecarboxylate, ethyl 5-methyl-4-[(1,3-thiazol-2-yl)carbamoyl]-1,2-oxazole-3-carboxylate
| Molecular Formula | C11H11N3O4S |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 1.86852 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.04703 |
| Heavy Atoms | 19 |
| Complexity | 591.11206 |
Chemical Identifiers
| CAS Number | 338408-87-0 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(=C1C(=O)NC2=NC=CS2)C |
Product Overview
Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate (CAS 338408-87-0), with molecular formula C11H11N3O4S and molecular weight 281.05 g/mol. IUPAC: ethyl 5-methyl-4-(1,3-thiazol-2-ylcarbamoyl)-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate
Property Insights of Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate
The XLogP value of 1.86852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate. The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate. Following Lipinski's Rule of Five, Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate has 1 hydrogen bond donor(s) and 7 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 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate?
The CAS number of Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate is 338408-87-0.
What is the molecular formula of Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate?
The molecular formula of Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate is C11H11N3O4S.
What is the molecular weight of Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate?
The molecular weight of Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate is 281.05 g/mol.
Where can I buy Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate?
You can request a quote for Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-methyl-4-[(1,3-thiazol-2-ylamino)carbonyl]-3-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.