![[N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron structure](/static/products/7945/79452-78-1.webp)
[N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron
TL;DR: [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron (CAS 79452-78-1) is a chemical compound with molecular formula C19H23BN2O4 and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-N-[[1-(2-methylphenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]benzamide
Also Known As: [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron|{2,2'-[({[Hydroxy(2-hydroxyphenyl)methylidene]amino}methyl)azanediyl-kappaN]di(ethan-1-olato-kappaO)}(2-methylphenyl)boron|2-hydroxy-N-[[1-(2-methylphenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]benzamide|2-hydroxy-N-[[5-(2-methylphenyl)-4,6-dioxa-1-azonia-5-boranuidabicyclo[3.3.0]octan-1-yl]methyl]benzamide
| Molecular Formula | C19H23BN2O4 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 1.11122 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.17508 |
| Heavy Atoms | 26 |
| Complexity | 522.0 |
Chemical Identifiers
| CAS Number | 79452-78-1 |
|---|---|
| SMILES | [B-]12([N+](CCO1)(CCO2)CNC(=O)C3=CC=CC=C3O)C4=CC=CC=C4C |
| InChIKey | UCMLALJODBQOPV-UHFFFAOYSA-N |
Product Overview
[N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron (CAS 79452-78-1), with molecular formula C19H23BN2O4 and molecular weight 354.18 g/mol. IUPAC: 2-hydroxy-N-[[1-(2-methylphenyl)-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octan-5-yl]methyl]benzamide.
Chemical Property Profile of [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron
Property Insights of [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron
The XLogP value of 1.11122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron. Following Lipinski's Rule of Five, [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron?
The CAS number of [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron is 79452-78-1.
What is the molecular formula of [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron?
The molecular formula of [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron is C19H23BN2O4.
What is the molecular weight of [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron?
The molecular weight of [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron is 354.18 g/mol.
Where can I buy [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron?
You can request a quote for [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron?
Yes, KEHONG BIO provides custom synthesis services for [N-({Bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}methyl)-2-hydroxybenzene-1-carboximidato(2-)](2-methylphenyl)boron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.