![Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate structure](/static/products/3296/329695-18-3.webp)
Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate
TL;DR: Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate (CAS 329695-18-3) is a chemical compound with molecular formula C8H8F3N3O3S and molecular weight 283.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butanoate
Also Known As: methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate, methyl 3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}propanoate, methyl 4-oxo-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butanoate, methyl3-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}propanoate, methyl 3-{N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}propanoate
| Molecular Formula | C8H8F3N3O3S |
|---|---|
| Molecular Weight | 283.02 g/mol |
| LogP | 1.4486 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.02383 |
| Heavy Atoms | 18 |
| Complexity | 446.28586 |
Chemical Identifiers
| CAS Number | 329695-18-3 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=NN=C(S1)C(F)(F)F |
Product Overview
Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate (CAS 329695-18-3), with molecular formula C8H8F3N3O3S and molecular weight 283.02 g/mol. IUPAC: methyl 4-oxo-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butanoate.
Chemical Property Profile of Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate
Property Insights of Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate
The XLogP value of 1.4486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate. Following Lipinski's Rule of Five, Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate has 1 hydrogen bond donor(s) and 6 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 Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate?
The CAS number of Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate is 329695-18-3.
What is the molecular formula of Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate?
The molecular formula of Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate is C8H8F3N3O3S.
What is the molecular weight of Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate?
The molecular weight of Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate is 283.02 g/mol.
Where can I buy Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate?
You can request a quote for Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxo-4-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.