1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl
TL;DR: 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl (CAS 85959-35-9) is a chemical compound with molecular formula C31H27N5O6S2 and molecular weight 629.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[[4-[ethyl-[(4-sulfophenyl)methyl]amino]phenyl]diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
Also Known As: 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl, 3-((4-((4-(Ethyl((4-sulphophenyl)methyl)amino)phenyl)azo)-1-naphthyl)azo)benzenesulphonic acid, 3-[[4-[[4-[ethyl-[(4-sulfophenyl)methyl]amino]phenyl]diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid, 3-[[4-[[4-[Ethyl[(4-sulfophenyl)methyl]amino]phenyl]azo]-1-naphthalenyl]azo]benzenesulfonic acid, 3-[[4-[[4-[ethyl[(4-sulphophenyl)methyl]amino]phenyl]azo]-1-naphthyl]azo]benzenesulphonic acid
| Molecular Formula | C31H27N5O6S2 |
|---|---|
| Molecular Weight | 629.14 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 629.14026 |
| Heavy Atoms | 44 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 85959-35-9 |
|---|---|
| SMILES | CCN(CC1=CC=C(C=C1)S(=O)(=O)O)C2=CC=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=CC(=CC=C5)S(=O)(=O)O |
| InChIKey | HHPJBJQLUFRROB-UHFFFAOYSA-N |
Product Overview
1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl (CAS 85959-35-9), with molecular formula C31H27N5O6S2 and molecular weight 629.14 g/mol. IUPAC: 3-[[4-[[4-[ethyl-[(4-sulfophenyl)methyl]amino]phenyl]diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid.
Chemical Property Profile of 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl
Property Insights of 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl
The XLogP value of 6.2 indicates that 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 Ų indicates high polarity, suggesting 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl?
The CAS number of 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl is 85959-35-9.
What is the molecular formula of 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl?
The molecular formula of 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl is C31H27N5O6S2.
What is the molecular weight of 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl?
The molecular weight of 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl is 629.14 g/mol.
Where can I buy 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl?
You can request a quote for 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-1-ethanamine,N-ethyl-2-methyl-N-phenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.