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Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate
TL;DR: Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate (CAS 4609-55-6) is a chemical compound with molecular formula C13H14N2O4S and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[methoxy(phenoxy)methyl]thiadiazole-4-carboxylate
Also Known As: NCIOpen2_004449, ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate, ethyl 5-[methoxy(phenoxy)methyl]thiadiazole-4-carboxylate, Ethyl 5-(methoxy(phenoxy)methyl)-1,2,3-thiadiazole-4-carboxylate, ethyl 5-(methoxy-phenoxy-methyl)thiadiazole-4-carboxylate
| Molecular Formula | C13H14N2O4S |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.0674 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 4609-55-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SN=N1)C(OC)OC2=CC=CC=C2 |
| InChIKey | QEQFAVWEQCQODI-UHFFFAOYSA-N |
Product Overview
Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate (CAS 4609-55-6), with molecular formula C13H14N2O4S and molecular weight 294.07 g/mol. IUPAC: ethyl 5-[methoxy(phenoxy)methyl]thiadiazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate
Property Insights of Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate has 0 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-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate?
The CAS number of Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate is 4609-55-6.
What is the molecular formula of Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate?
The molecular formula of Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate is C13H14N2O4S.
What is the molecular weight of Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate?
The molecular weight of Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate is 294.07 g/mol.
Where can I buy Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate?
You can request a quote for Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-[methoxy(phenoxy)methyl]-1,2,3-thiadiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.