![4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide structure](/static/products/714/714916-18-4.png)
4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
TL;DR: 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide (CAS 714916-18-4) is a chemical compound with molecular formula C14H17F3N4O4S and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide, 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide, 4-oxo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)butanamide
| Molecular Formula | C14H17F3N4O4S |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.09225 |
| Heavy Atoms | 26 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 714916-18-4 |
|---|---|
| SMILES | C1CN(CCC12OCCO2)C(=O)CCC(=O)NC3=NN=C(S3)C(F)(F)F |
| InChIKey | ZKMJKQPJQLWQHC-UHFFFAOYSA-N |
Product Overview
4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide (CAS 714916-18-4), with molecular formula C14H17F3N4O4S and molecular weight 394.09 g/mol. IUPAC: 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Property Insights of 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide. Following Lipinski's Rule of Five, 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide has 1 hydrogen bond donor(s) and 10 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 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide?
The CAS number of 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide is 714916-18-4.
What is the molecular formula of 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide?
The molecular formula of 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide is C14H17F3N4O4S.
What is the molecular weight of 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide?
The molecular weight of 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide is 394.09 g/mol.
Where can I buy 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide?
You can request a quote for 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-oxo-N-[(2E)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.