![Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate structure](/static/products/797/797767-46-5.png)
Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate
TL;DR: Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate (CAS 797767-46-5) is a chemical compound with molecular formula C14H21N3O5S and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-ethyl-2-[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate
Also Known As: diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate, diethyl 2-(3-((1,3,4-thiadiazol-2-yl)amino)-3-oxopropyl)-2-ethylmalonate, Diethyl ethyl{3-oxo-3-[(1,3,4-thiadiazol-2-yl)amino]propyl}propanedioate, 1,3-Diethyl 2-ethyl-2-[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate, 1,3-DIETHYL 2-ETHYL-2-{2-[(1,3,4-THIADIAZOL-2-YL)CARBAMOYL]ETHYL}PROPANEDIOATE
| Molecular Formula | C14H21N3O5S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 343.12018 |
| Heavy Atoms | 23 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 797767-46-5 |
|---|---|
| SMILES | CCC(CCC(=O)NC1=NN=CS1)(C(=O)OCC)C(=O)OCC |
| InChIKey | ZQHHMTWIZYKPSO-UHFFFAOYSA-N |
Product Overview
Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate (CAS 797767-46-5), with molecular formula C14H21N3O5S and molecular weight 343.12 g/mol. IUPAC: diethyl 2-ethyl-2-[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate.
Chemical Property Profile of Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate
Property Insights of Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate. Following Lipinski's Rule of Five, Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate has 1 hydrogen bond donor(s) and 8 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 Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate?
The CAS number of Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate is 797767-46-5.
What is the molecular formula of Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate?
The molecular formula of Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate is C14H21N3O5S.
What is the molecular weight of Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate?
The molecular weight of Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate is 343.12 g/mol.
Where can I buy Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate?
You can request a quote for Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ethyl[3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.