Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate
TL;DR: Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate (CAS 74050-99-0) is a chemical compound with molecular formula C58H78F6N2O17 and molecular weight 1188.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(N,N-diethyl-4-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]pentan-1-amine);bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate
Also Known As: Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate, 2-Hydroxypropane-1,2,3-tricarboxylic acid-N,N-diethyl-4-{phenyl[3-(trifluoromethyl)phenyl]methoxy}pentan-1-amine-water (2:2:1), N,N-Diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-Pentylamine citrate hemihydrate, N,N-diethyl-4-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]pentan-1-amine,2-hydroxypropane-1,2,3-tricarboxylic acid,hydrate, N,N-diethyl-4-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]pentan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid; hydrate
| Molecular Formula | C58H78F6N2O17 |
|---|---|
| Molecular Weight | 1188.52 g/mol |
| LogP | 9.3221 |
| Topological Polar Surface Area | 320.7 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 30 |
| Exact Mass | 1188.5205 |
| Heavy Atoms | 83 |
| Complexity | 2358.8032 |
Chemical Identifiers
| CAS Number | 74050-99-0 |
|---|---|
| SMILES | CCN(CC)CCCC(C)OC(C1=CC=CC=C1)C2=CC(=CC=C2)C(F)(F)F.CCN(CC)CCCC(C)OC(C1=CC=CC=C1)C2=CC(=CC=C2)C(F)(F)F.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O |
Product Overview
Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate (CAS 74050-99-0), with molecular formula C58H78F6N2O17 and molecular weight 1188.52 g/mol. IUPAC: bis(N,N-diethyl-4-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]pentan-1-amine);bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate.
Chemical Property Profile of Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate
Property Insights of Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate
The XLogP value of 9.3221 indicates that Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 320.7 Ų indicates high polarity, suggesting Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate?
The CAS number of Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate is 74050-99-0.
What is the molecular formula of Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate?
The molecular formula of Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate is C58H78F6N2O17.
What is the molecular weight of Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate?
The molecular weight of Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate is 1188.52 g/mol.
Where can I buy Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate?
You can request a quote for Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for Pentylamine, N,N-diethyl-4-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)-, citrate, hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.