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Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate
TL;DR: Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate (CAS 113137-20-5) 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 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate
Also Known As: ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate, AE-641/10052003, ethyl 3-((5-ethyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate, F3096-0009
| Molecular Formula | C9H13N3O3S |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 1.6 |
| 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 | 113137-20-5 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)CC(=O)OCC |
| InChIKey | KUJHZICQSHXIHW-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate (CAS 113137-20-5), with molecular formula C9H13N3O3S and molecular weight 243.07 g/mol. IUPAC: ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate
Property Insights of Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate 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 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate?
The CAS number of Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate is 113137-20-5.
What is the molecular formula of Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate?
The molecular formula of Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate is C9H13N3O3S.
What is the molecular weight of Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate?
The molecular weight of Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate is 243.07 g/mol.
Where can I buy Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate?
You can request a quote for Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.