![Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate structure](/static/products/3923/392318-46-6.webp)
Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
TL;DR: Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate (CAS 392318-46-6) is a chemical compound with molecular formula C13H11N5O7S2 and molecular weight 413.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate, ethyl 2-{[5-(3,5-dinitrobenzamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate, ethyl 2-((5-(3,5-dinitrobenzamido)-1,3,4-thiadiazol-2-yl)thio)acetate, 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester, ethyl 2-[[5-[(3,5-dinitrophenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate
| Molecular Formula | C13H11N5O7S2 |
|---|---|
| Molecular Weight | 413.01 g/mol |
| LogP | 2.262 |
| Topological Polar Surface Area | 167.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.00998 |
| Heavy Atoms | 27 |
| Complexity | 868.67865 |
Chemical Identifiers
| CAS Number | 392318-46-6 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate (CAS 392318-46-6), with molecular formula C13H11N5O7S2 and molecular weight 413.01 g/mol. IUPAC: ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Property Insights of Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
The XLogP value of 2.262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate. The TPSA of 167.46 Ų indicates high polarity, suggesting Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The CAS number of Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is 392318-46-6.
What is the molecular formula of Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The molecular formula of Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is C13H11N5O7S2.
What is the molecular weight of Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The molecular weight of Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is 413.01 g/mol.
Where can I buy Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
You can request a quote for Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]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-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[5-[(3,5-dinitrobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.