![n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide structure](/static/products/2062/20628-06-2.webp)
n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide
TL;DR: n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide (CAS 20628-06-2) is a chemical compound with molecular formula C11H9ClF3NO2 and molecular weight 279.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide
Also Known As: n-[2-chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide, N-(2-Chloro-5-(trifluoromethyl)phenyl)-3-oxobutanamide, N-[2-chloro-5- phenyl]-3-oxobutanamide, BIM-0044825.P001, W-7777
| Molecular Formula | C11H9ClF3NO2 |
|---|---|
| Molecular Weight | 279.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.0274 |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 20628-06-2 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl |
| InChIKey | VZRQBDKLEYQGPP-UHFFFAOYSA-N |
Product Overview
n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide (CAS 20628-06-2), with molecular formula C11H9ClF3NO2 and molecular weight 279.03 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide.
Chemical Property Profile of n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide
Property Insights of n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide
The XLogP value of 3.2 indicates that n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide 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-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide has 1 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 n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide?
The CAS number of n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide is 20628-06-2.
What is the molecular formula of n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide?
The molecular formula of n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide is C11H9ClF3NO2.
What is the molecular weight of n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide?
The molecular weight of n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide is 279.03 g/mol.
Where can I buy n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide?
You can request a quote for n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for n-[2-Chloro-5-(trifluoromethyl)phenyl]-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.