Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate
TL;DR: Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate (CAS 545359-89-5) is a chemical compound with molecular formula C16H12F7N3O3 and molecular weight 427.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-phenylpyrazole-4-carboxylate
Also Known As: Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate, ethyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-1-phenyl-1H-pyrazole-4-carboxylate, ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-phenylpyrazole-4-carboxylate, RefChem:344140
| Molecular Formula | C16H12F7N3O3 |
|---|---|
| Molecular Weight | 427.08 g/mol |
| LogP | 3.8204 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.0767 |
| Heavy Atoms | 29 |
| Complexity | 894.9086 |
Chemical Identifiers
| CAS Number | 545359-89-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate (CAS 545359-89-5), with molecular formula C16H12F7N3O3 and molecular weight 427.08 g/mol. IUPAC: ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-phenylpyrazole-4-carboxylate.
Chemical Property Profile of Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate
Property Insights of Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate
The XLogP value of 3.8204 indicates that Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate has 1 hydrogen bond donor(s) and 4 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 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate?
The CAS number of Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate is 545359-89-5.
What is the molecular formula of Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate?
The molecular formula of Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate is C16H12F7N3O3.
What is the molecular weight of Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate?
The molecular weight of Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate is 427.08 g/mol.
Where can I buy Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate?
You can request a quote for Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(2,2,3,3,4,4,4-heptafluorobutanamido)-1-phenyl-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.