Heptafluorobutyranilide
TL;DR: Heptafluorobutyranilide (CAS 336-61-8) is a chemical compound with molecular formula C10H6F7NO and molecular weight 289.03 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-N-phenylbutanamide
Also Known As: Heptafluorobutyranilide, starbld0007507, AI 3-18011, 5-Diazoimidazole-4-carboxamide, 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
| Molecular Formula | C10H6F7NO |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.03375 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 336-61-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | AFGARRAOIQHNDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Heptafluorobutyranilide (CAS 336-61-8), with molecular formula C10H6F7NO and molecular weight 289.03 g/mol. IUPAC: 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide.
Chemical Property Profile of Heptafluorobutyranilide
Property Insights of Heptafluorobutyranilide
The XLogP value of 3.6 indicates that Heptafluorobutyranilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, Heptafluorobutyranilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptafluorobutyranilide has 1 hydrogen bond donor(s) and 8 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 Heptafluorobutyranilide?
The CAS number of Heptafluorobutyranilide is 336-61-8.
What is the molecular formula of Heptafluorobutyranilide?
The molecular formula of Heptafluorobutyranilide is C10H6F7NO.
What is the molecular weight of Heptafluorobutyranilide?
The molecular weight of Heptafluorobutyranilide is 289.03 g/mol.
Where can I buy Heptafluorobutyranilide?
You can request a quote for Heptafluorobutyranilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptafluorobutyranilide?
Yes, KEHONG BIO provides custom synthesis services for Heptafluorobutyranilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.