Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate
TL;DR: Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate (CAS 4602-45-3) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(phenoxymethyl)thiadiazole-4-carboxylate
Also Known As: ethyl 5-(phenoxymethyl)thiadiazole-4-carboxylate, ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate, 5-phenoxymethyl-[1,2,3]thiadiazole-4-carboxylic acid ethyl ester, 1,2,3-Thiadiazole-4-carboxylicacid, 5-(phenoxymethyl)-, ethyl ester
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 4602-45-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SN=N1)COC2=CC=CC=C2 |
| InChIKey | JZCYMKZKWZIZNF-UHFFFAOYSA-N |
Product Overview
Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate (CAS 4602-45-3), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: ethyl 5-(phenoxymethyl)thiadiazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate
Property Insights of Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate has 0 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 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate?
The CAS number of Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate is 4602-45-3.
What is the molecular formula of Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate?
The molecular formula of Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate is C12H12N2O3S.
What is the molecular weight of Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate?
The molecular weight of Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate is 264.06 g/mol.
Where can I buy Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate?
You can request a quote for Ethyl 5-(phenoxymethyl)-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-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(phenoxymethyl)-1,2,3-thiadiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.