6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide
TL;DR: 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide (CAS 4456-59-1) is a chemical compound with molecular formula C15H19ClF3NO and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]octanamide
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]octanamide, 4,4'-dimethoxydiphenyl telluride, 6'-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-M-OCTANOTOLUIDIDE, 667-862-3, RefChem:538372
| Molecular Formula | C15H19ClF3NO |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.11072 |
| Heavy Atoms | 21 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 4456-59-1 |
|---|---|
| SMILES | CCCCCCCC(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl |
| InChIKey | DCCPZTFQVSVVJP-UHFFFAOYSA-N |
Product Overview
6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide (CAS 4456-59-1), with molecular formula C15H19ClF3NO and molecular weight 321.11 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]octanamide.
Chemical Property Profile of 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide
Property Insights of 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide
The XLogP value of 5.6 indicates that 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide?
The CAS number of 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide is 4456-59-1.
What is the molecular formula of 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide?
The molecular formula of 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide is C15H19ClF3NO.
What is the molecular weight of 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide?
The molecular weight of 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide is 321.11 g/mol.
Where can I buy 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide?
You can request a quote for 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide?
Yes, KEHONG BIO provides custom synthesis services for 6'-Chloro-alpha,alpha,alpha-trifluoro-M-octanotoluidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.