![N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide structure](/static/products/116/1164508-43-3.png)
N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide
TL;DR: N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide (CAS 1164508-43-3) is a chemical compound with molecular formula C17H18FNO2 and molecular weight 287.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1E)-1-[(1S,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]-2-fluorobenzamide
Also Known As: N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide, N-[(1E)-1-[(1R,5S)-6,6-dimethyl-3-oxo-4-bicyclo[3.1.0]hexanylidene]ethyl]-2-fluorobenzamide, N-{(1E)-1-[(1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hex-2-ylidene]ethyl}-2-fluorobenzamide
| Molecular Formula | C17H18FNO2 |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.13217 |
| Heavy Atoms | 21 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 1164508-43-3 |
|---|---|
| SMILES | C/C(=C\1/[C@H]2[C@H](C2(C)C)CC1=O)/NC(=O)C3=CC=CC=C3F |
| InChIKey | WYWUNAYYDOLKLE-BPLLEURISA-N |
Product Overview
N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide (CAS 1164508-43-3), with molecular formula C17H18FNO2 and molecular weight 287.13 g/mol. IUPAC: N-[(1E)-1-[(1S,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]-2-fluorobenzamide.
Chemical Property Profile of N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide
Property Insights of N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide
The XLogP value of 3.1 indicates that N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide has 1 hydrogen bond donor(s) and 3 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-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide?
The CAS number of N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide is 1164508-43-3.
What is the molecular formula of N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide?
The molecular formula of N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide is C17H18FNO2.
What is the molecular weight of N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide?
The molecular weight of N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide is 287.13 g/mol.
Where can I buy N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide?
You can request a quote for N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((E)-1-((1S,5R)-6,6-dimethyl-3-oxobicyclo[3.1.0]hexan-2-ylidene)ethyl)-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.