Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
TL;DR: Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate (CAS 392292-51-2) is a chemical compound with molecular formula C17H20N4O4S2 and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-{2-[(5-butanamido-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}benzoate, F0417-0250, ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate, ethyl 4-[[2-[[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C17H20N4O4S2 |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 3.1842 |
| Topological Polar Surface Area | 110.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 408.0926 |
| Heavy Atoms | 27 |
| Complexity | 792.486 |
Chemical Identifiers
| CAS Number | 392292-51-2 |
|---|---|
| SMILES | CCCC(=O)NC1=NN=C(S1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC |
Product Overview
Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate (CAS 392292-51-2), with molecular formula C17H20N4O4S2 and molecular weight 408.09 g/mol. IUPAC: ethyl 4-[[2-[[5-(butanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
Property Insights of Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate
The XLogP value of 3.1842 indicates that Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.28 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate has 2 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 Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The CAS number of Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is 392292-51-2.
What is the molecular formula of Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The molecular formula of Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is C17H20N4O4S2.
What is the molecular weight of Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
The molecular weight of Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate is 408.09 g/mol.
Where can I buy Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
You can request a quote for Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-((5-butyramido-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.