RefChem:351481
TL;DR: RefChem:351481 (CAS 77966-53-1) is a chemical compound with molecular formula C13H17Cl2F3N2O and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-diethylazanium chloride
Also Known As: C 3077, m-Acetotoluidide, 6'-chloro-2-(diethylamino)-alpha,alpha,alpha-trifluoro-, hydrochloride, 2'-Chloro-2-(diethylamino)-5'-trifluoromethylacetanilide, hydrochloride, [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-diethylazanium;chloride, Acetanilide, 2'-chloro-2-(diethylamino)-5'-trifluoromethyl-, hydrochloride
| Molecular Formula | C13H17Cl2F3N2O |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | -0.77 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.06702 |
| Heavy Atoms | 21 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 77966-53-1 |
|---|---|
| SMILES | CC[NH+](CC)CC(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl.[Cl-] |
| InChIKey | NEVMRILDXQVADV-UHFFFAOYSA-N |
Product Overview
RefChem:351481 (CAS 77966-53-1), with molecular formula C13H17Cl2F3N2O and molecular weight 344.07 g/mol. IUPAC: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-diethylazanium chloride.
Chemical Property Profile of RefChem:351481
Property Insights of RefChem:351481
The XLogP value of -0.77 indicates that RefChem:351481 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.5 Ų, RefChem:351481 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:351481 has 2 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 RefChem:351481?
The CAS number of RefChem:351481 is 77966-53-1.
What is the molecular formula of RefChem:351481?
The molecular formula of RefChem:351481 is C13H17Cl2F3N2O.
What is the molecular weight of RefChem:351481?
The molecular weight of RefChem:351481 is 344.07 g/mol.
Where can I buy RefChem:351481?
You can request a quote for RefChem:351481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:351481?
Yes, KEHONG BIO provides custom synthesis services for RefChem:351481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.