Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate
TL;DR: Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate (CAS 392318-34-2) is a chemical compound with molecular formula C17H21N3O4S2 and molecular weight 395.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(4-butoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: F0417-2069, ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate, ethyl 2-{[5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate, ethyl 2-[[5-[(4-butoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate, ethyl [5-(p-butoxybenzylamino)-1,3,4-thiadiazol-2-ylthio]acetate
| Molecular Formula | C17H21N3O4S2 |
|---|---|
| Molecular Weight | 395.10 g/mol |
| LogP | 3.6245 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 395.09735 |
| Heavy Atoms | 26 |
| Complexity | 719.053 |
Chemical Identifiers
| CAS Number | 392318-34-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)OCC |
Product Overview
Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate (CAS 392318-34-2), with molecular formula C17H21N3O4S2 and molecular weight 395.10 g/mol. IUPAC: ethyl 2-[[5-[(4-butoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate
Property Insights of Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate
The XLogP value of 3.6245 indicates that Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate 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 Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
The CAS number of Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate is 392318-34-2.
What is the molecular formula of Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate is C17H21N3O4S2.
What is the molecular weight of Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate is 395.10 g/mol.
Where can I buy Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-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-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((5-(4-butoxybenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.