N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine
TL;DR: N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine (CAS 641571-19-9) is a chemical compound with molecular formula C58H80N2O14+2 and molecular weight 1028.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-[3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 8-O-[3-[(4R)-6,7-dimethoxy-2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-oct-4-enedioate
Also Known As: N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine
| Molecular Formula | C58H80N2O14+2 |
|---|---|
| Molecular Weight | 1028.56 g/mol |
| LogP | 9.029 |
| Topological Polar Surface Area | 144.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 28 |
| Exact Mass | 1028.5609 |
| Heavy Atoms | 74 |
| Complexity | 2513.5593 |
Chemical Identifiers
| CAS Number | 641571-19-9 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]4(C[C@@H](C5=CC(=C(C=C5C4)OC)OC)CC6=CC(=C(C(=C6)OC)OC)OC)C |
Product Overview
N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine (CAS 641571-19-9), with molecular formula C58H80N2O14+2 and molecular weight 1028.56 g/mol. IUPAC: 1-O-[3-[(1R)-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 8-O-[3-[(4R)-6,7-dimethoxy-2-methyl-4-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-oct-4-enedioate.
Chemical Property Profile of N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine
Property Insights of N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine
The XLogP value of 9.029 indicates that N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.9 Ų indicates high polarity, suggesting N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine?
The CAS number of N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine is 641571-19-9.
What is the molecular formula of N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine?
The molecular formula of N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine is C58H80N2O14+2.
What is the molecular weight of N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine?
The molecular weight of N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine is 1028.56 g/mol.
Where can I buy N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine?
You can request a quote for N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine?
Yes, KEHONG BIO provides custom synthesis services for N-Boc3-(5-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.