ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate
TL;DR: ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate (CAS 394233-88-6) is a chemical compound with molecular formula C12H19N3O3S2 and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate
Also Known As: ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate, ethyl 2-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate, ethyl 2-[(1-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}ethyl)sulfanyl]acetate, 2-[[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thio]acetic acid ethyl ester, 2-[[2-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-2-keto-1-methyl-ethyl]thio]acetic acid ethyl ester
| Molecular Formula | C12H19N3O3S2 |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 2.2848 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.0868 |
| Heavy Atoms | 20 |
| Complexity | 462.55496 |
Chemical Identifiers
| CAS Number | 394233-88-6 |
|---|---|
| SMILES | CCOC(=O)CSC(C)C(=O)NC1=NN=C(S1)C(C)C |
Product Overview
ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate (CAS 394233-88-6), with molecular formula C12H19N3O3S2 and molecular weight 317.09 g/mol. IUPAC: ethyl 2-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]sulfanylacetate.
Chemical Property Profile of ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate
Property Insights of ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate
The XLogP value of 2.2848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate. Following Lipinski's Rule of Five, ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate has 1 hydrogen bond donor(s) and 7 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-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate?
The CAS number of ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate is 394233-88-6.
What is the molecular formula of ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate?
The molecular formula of ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate is C12H19N3O3S2.
What is the molecular weight of ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate?
The molecular weight of ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate is 317.09 g/mol.
Where can I buy ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate?
You can request a quote for ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)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-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((1-((5-isopropyl-1,3,4-thiadiazol-2-yl)amino)-1-oxopropan-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.