N-(Heptafluorobutyryl)imidazole
TL;DR: N-(Heptafluorobutyryl)imidazole (CAS 32477-35-3) is a chemical compound with molecular formula C7H3F7N2O and molecular weight 264.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one
Also Known As: n-Heptafluorobutyrylimidazole, 1-(Heptafluorobutyryl)imidazole, N-(Heptafluorobutyryl)imidazole, Heptafluorobutyrylimidazole, HFBI
| Molecular Formula | C7H3F7N2O |
|---|---|
| Molecular Weight | 264.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.01337 |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 32477-35-3 |
|---|---|
| SMILES | C1=CN(C=N1)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | MSYHGYDAVLDKCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(Heptafluorobutyryl)imidazole (CAS 32477-35-3), with molecular formula C7H3F7N2O and molecular weight 264.01 g/mol. IUPAC: 2,2,3,3,4,4,4-heptafluoro-1-imidazol-1-ylbutan-1-one.
Chemical Property Profile of N-(Heptafluorobutyryl)imidazole
Property Insights of N-(Heptafluorobutyryl)imidazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Heptafluorobutyryl)imidazole. With a topological polar surface area (TPSA) of 34.9 Ų, N-(Heptafluorobutyryl)imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(Heptafluorobutyryl)imidazole has 0 hydrogen bond donor(s) and 9 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 N-(Heptafluorobutyryl)imidazole?
The CAS number of N-(Heptafluorobutyryl)imidazole is 32477-35-3.
What is the molecular formula of N-(Heptafluorobutyryl)imidazole?
The molecular formula of N-(Heptafluorobutyryl)imidazole is C7H3F7N2O.
What is the molecular weight of N-(Heptafluorobutyryl)imidazole?
The molecular weight of N-(Heptafluorobutyryl)imidazole is 264.01 g/mol.
Where can I buy N-(Heptafluorobutyryl)imidazole?
You can request a quote for N-(Heptafluorobutyryl)imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Heptafluorobutyryl)imidazole?
Yes, KEHONG BIO provides custom synthesis services for N-(Heptafluorobutyryl)imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.