![Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate structure](/static/products/113/113360-69-3.png)
Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate
TL;DR: Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate (CAS 113360-69-3) is a chemical compound with molecular formula C10H15N3O3S and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate
Also Known As: ethyl 3-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-3-oxopropanoate, ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate, ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate, ethyl 3-oxo-3-{[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]amino}propanoate
| Molecular Formula | C10H15N3O3S |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 257.0834 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 113360-69-3 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NC1=NN=C(S1)C(C)C |
| InChIKey | ZLXPBPPSUGVNNU-UHFFFAOYSA-N |
Product Overview
Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate (CAS 113360-69-3), with molecular formula C10H15N3O3S and molecular weight 257.08 g/mol. IUPAC: ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate.
Chemical Property Profile of Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate
Property Insights of Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate. Following Lipinski's Rule of Five, Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate 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-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate?
The CAS number of Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate is 113360-69-3.
What is the molecular formula of Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate?
The molecular formula of Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate is C10H15N3O3S.
What is the molecular weight of Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate?
The molecular weight of Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate is 257.08 g/mol.
Where can I buy Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate?
You can request a quote for Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.