![ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate structure](/static/products/3296/329699-49-2.webp)
ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
TL;DR: ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (CAS 329699-49-2) is a chemical compound with molecular formula C14H12F3N3O4S2 and molecular weight 407.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[[3-(trifluoromethoxy)benzoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate, ethyl 2-[[5-[[3-(trifluoromethoxy)benzoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate, ethyl 2-({5-[3-(trifluoromethoxy)benzamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate, ethyl2-({5-[3-(trifluoromethoxy)benzamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate
| Molecular Formula | C14H12F3N3O4S2 |
|---|---|
| Molecular Weight | 407.02 g/mol |
| LogP | 3.3442 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.02213 |
| Heavy Atoms | 26 |
| Complexity | 782.79266 |
Chemical Identifiers
| CAS Number | 329699-49-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)OC(F)(F)F |
Product Overview
ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (CAS 329699-49-2), with molecular formula C14H12F3N3O4S2 and molecular weight 407.02 g/mol. IUPAC: ethyl 2-[[5-[[3-(trifluoromethoxy)benzoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
Property Insights of ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
The XLogP value of 3.3442 indicates that ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]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-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]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-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The CAS number of ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is 329699-49-2.
What is the molecular formula of ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The molecular formula of ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is C14H12F3N3O4S2.
What is the molecular weight of ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The molecular weight of ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is 407.02 g/mol.
Where can I buy ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
You can request a quote for ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]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-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(5-{[3-(trifluoromethoxy)benzoyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.