Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate
TL;DR: Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate (CAS 392318-17-1) is a chemical compound with molecular formula C13H12N4O5S2 and molecular weight 368.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(3-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: J3.499.656C, ethyl 2-{[5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate, ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate, ethyl 2-[[5-[(3-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate, ethyl [5-(m-nitrobenzylamino)-1,3,4-thiadiazol-2-ylthio]acetate
| Molecular Formula | C13H12N4O5S2 |
|---|---|
| Molecular Weight | 368.02 g/mol |
| LogP | 2.3538 |
| Topological Polar Surface Area | 124.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.0249 |
| Heavy Atoms | 24 |
| Complexity | 764.32526 |
Chemical Identifiers
| CAS Number | 392318-17-1 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate (CAS 392318-17-1), with molecular formula C13H12N4O5S2 and molecular weight 368.02 g/mol. IUPAC: ethyl 2-[[5-[(3-nitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate
Property Insights of Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate
The XLogP value of 2.3538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate. The TPSA of 124.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate has 1 hydrogen bond donor(s) and 9 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-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
The CAS number of Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate is 392318-17-1.
What is the molecular formula of Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
The molecular formula of Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate is C13H12N4O5S2.
What is the molecular weight of Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
The molecular weight of Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate is 368.02 g/mol.
Where can I buy Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
You can request a quote for Ethyl 2-((5-(3-nitrobenzamido)-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-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((5-(3-nitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.