N-Aethyl-(benz-o-toluidid)
TL;DR: N-Aethyl-(benz-o-toluidid) (CAS 70970-55-7) is a chemical compound with molecular formula C26H31BrN6O6 and molecular weight 602.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butyl]pyridin-1-ium-4-yl]-3,4,5-trimethoxybenzamide bromide
Also Known As: N-Aethyl-(benz-o-toluidid), Pyridinium, 1-(4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)butyl)-4-((3,4,5-trimethoxybenzoyl)amino)-, bromide, N-[1-[4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butyl]pyridin-4-yl]-3,4,5-trimethoxy-benzamide Bromide, N-[1-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butyl]pyridin-1-ium-4-yl]-3,4,5-trimethoxybenzamide bromide, N-[1-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butyl]pyridin-1-ium-4-yl]-3,4,5-trimethoxybenzamide,bromide
| Molecular Formula | C26H31BrN6O6 |
|---|---|
| Molecular Weight | 602.15 g/mol |
| LogP | -1.5163 |
| Topological Polar Surface Area | 122.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 602.14886 |
| Heavy Atoms | 39 |
| Complexity | 1566.7592 |
Chemical Identifiers
| CAS Number | 70970-55-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC[N+]3=CC=C(C=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC.[Br-] |
Product Overview
N-Aethyl-(benz-o-toluidid) (CAS 70970-55-7), with molecular formula C26H31BrN6O6 and molecular weight 602.15 g/mol. IUPAC: N-[1-[4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butyl]pyridin-1-ium-4-yl]-3,4,5-trimethoxybenzamide bromide.
Chemical Property Profile of N-Aethyl-(benz-o-toluidid)
Property Insights of N-Aethyl-(benz-o-toluidid)
The XLogP value of -1.5163 indicates that N-Aethyl-(benz-o-toluidid) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.49 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Aethyl-(benz-o-toluidid). Following Lipinski's Rule of Five, N-Aethyl-(benz-o-toluidid) has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Aethyl-(benz-o-toluidid)?
The CAS number of N-Aethyl-(benz-o-toluidid) is 70970-55-7.
What is the molecular formula of N-Aethyl-(benz-o-toluidid)?
The molecular formula of N-Aethyl-(benz-o-toluidid) is C26H31BrN6O6.
What is the molecular weight of N-Aethyl-(benz-o-toluidid)?
The molecular weight of N-Aethyl-(benz-o-toluidid) is 602.15 g/mol.
Where can I buy N-Aethyl-(benz-o-toluidid)?
You can request a quote for N-Aethyl-(benz-o-toluidid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Aethyl-(benz-o-toluidid)?
Yes, KEHONG BIO provides custom synthesis services for N-Aethyl-(benz-o-toluidid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.