Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate
TL;DR: Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate (CAS 313376-49-7) is a chemical compound with molecular formula C9H13N3O3S and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]acetate
Also Known As: BAS 00599547, ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate, ethyl 2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]acetate, (5-Propionylamino-[1,3,4]thiadiazol-2-yl)-acetic acid ethyl ester
| Molecular Formula | C9H13N3O3S |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.06776 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 313376-49-7 |
|---|---|
| SMILES | CCC(=O)NC1=NN=C(S1)CC(=O)OCC |
| InChIKey | BPDKKGJMHAALAX-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate (CAS 313376-49-7), with molecular formula C9H13N3O3S and molecular weight 243.07 g/mol. IUPAC: ethyl 2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]acetate.
Chemical Property Profile of Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate
Property Insights of Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate has 1 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 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate?
The CAS number of Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate is 313376-49-7.
What is the molecular formula of Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate?
The molecular formula of Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate is C9H13N3O3S.
What is the molecular weight of Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate?
The molecular weight of Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate is 243.07 g/mol.
Where can I buy Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate?
You can request a quote for Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(5-propionamido-1,3,4-thiadiazol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.