Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride
TL;DR: Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride (CAS 119585-08-9) is a chemical compound with molecular formula C24H25ClF3NO2 and molecular weight 451.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylamino)-2-naphthalen-1-ylbutyl] 3-(trifluoromethyl)benzoate;hydrochloride
Also Known As: Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride, 4-(Dimethylamino)-2-(naphthalen-1-yl)butyl 3-(trifluoromethyl)benzoate--hydrogen chloride (1/1), [4-(dimethylamino)-2-naphthalen-1-ylbutyl] 3-(trifluoromethyl)benzoate hydrochloride, RefChem:1070098
| Molecular Formula | C24H25ClF3NO2 |
|---|---|
| Molecular Weight | 451.15 g/mol |
| LogP | 6.1727 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.1526 |
| Heavy Atoms | 31 |
| Complexity | 1015.6271 |
Chemical Identifiers
| CAS Number | 119585-08-9 |
|---|---|
| SMILES | CN(C)CCC(COC(=O)C1=CC(=CC=C1)C(F)(F)F)C2=CC=CC3=CC=CC=C32.Cl |
Product Overview
Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride (CAS 119585-08-9), with molecular formula C24H25ClF3NO2 and molecular weight 451.15 g/mol. IUPAC: [4-(dimethylamino)-2-naphthalen-1-ylbutyl] 3-(trifluoromethyl)benzoate;hydrochloride.
Chemical Property Profile of Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride
Property Insights of Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride
The XLogP value of 6.1727 indicates that Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride?
The CAS number of Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride is 119585-08-9.
What is the molecular formula of Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride?
The molecular formula of Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride is C24H25ClF3NO2.
What is the molecular weight of Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride?
The molecular weight of Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride is 451.15 g/mol.
Where can I buy Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride?
You can request a quote for Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(trifluoromethyl)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.