![butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate structure](/static/products/2928/292852-14-3.webp)
butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate
TL;DR: butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate (CAS 292852-14-3) is a chemical compound with molecular formula C11H11F7N4O3 and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1H-1,2,4-triazole-5-carboxylate
Also Known As: butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate, butyl 3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1H-1,2,4-triazole-5-carboxylate, butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-1H-1,2,4-triazole-3-carboxylate, butyl 5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4H-1,2,4-triazole-3-carboxyla te
| Molecular Formula | C11H11F7N4O3 |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 2.533 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.07193 |
| Heavy Atoms | 25 |
| Complexity | 629.4359 |
Chemical Identifiers
| CAS Number | 292852-14-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=NC(=NN1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate (CAS 292852-14-3), with molecular formula C11H11F7N4O3 and molecular weight 380.07 g/mol. IUPAC: butyl 3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1H-1,2,4-triazole-5-carboxylate.
Chemical Property Profile of butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate
Property Insights of butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate
The XLogP value of 2.533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate. Following Lipinski's Rule of Five, butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate has 2 hydrogen bond donor(s) and 5 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 butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate?
The CAS number of butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate is 292852-14-3.
What is the molecular formula of butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate?
The molecular formula of butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate is C11H11F7N4O3.
What is the molecular weight of butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate?
The molecular weight of butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate is 380.07 g/mol.
Where can I buy butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate?
You can request a quote for butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4H-1,2,4-triazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.