Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate
TL;DR: Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate (CAS 476465-88-0) is a chemical compound with molecular formula C17H21N3O3S2 and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate
Also Known As: ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate, ethyl 2-{[5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl]sulfanyl}butanoate, F0529-0685, ethyl 2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate
| Molecular Formula | C17H21N3O3S2 |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 3.5432 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 379.10245 |
| Heavy Atoms | 25 |
| Complexity | 691.45636 |
Chemical Identifiers
| CAS Number | 476465-88-0 |
|---|---|
| SMILES | CCC(C(=O)OCC)SC1=NN=C(S1)NC(=O)CCC2=CC=CC=C2 |
Product Overview
Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate (CAS 476465-88-0), with molecular formula C17H21N3O3S2 and molecular weight 379.10 g/mol. IUPAC: ethyl 2-[[5-(3-phenylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate.
Chemical Property Profile of Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate
Property Insights of Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate
The XLogP value of 3.5432 indicates that Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate. Following Lipinski's Rule of Five, Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate 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-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate?
The CAS number of Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate is 476465-88-0.
What is the molecular formula of Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate?
The molecular formula of Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate is C17H21N3O3S2.
What is the molecular weight of Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate?
The molecular weight of Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate is 379.10 g/mol.
Where can I buy Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate?
You can request a quote for Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate 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-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((5-(3-phenylpropanamido)-1,3,4-thiadiazol-2-yl)thio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.