1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol
TL;DR: 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol (CAS 40093-94-5) is a chemical compound with molecular formula C19H17Br2NO2 and molecular weight 448.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[(3,5-dibromo-2-hydroxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol
Also Known As: L-2'-DEOXYURIDINE, NCIStruc1_001365, NCIStruc2_001698, KST-1B3962, NCI60_041968
| Molecular Formula | C19H17Br2NO2 |
|---|---|
| Molecular Weight | 448.96 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.9626 |
| Heavy Atoms | 24 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 40093-94-5 |
|---|---|
| SMILES | CN(CC1=C(C(=CC(=C1)Br)Br)O)CC2=C(C=CC3=CC=CC=C32)O |
| InChIKey | MDGLBXLWXXWTIJ-UHFFFAOYSA-N |
Product Overview
1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol (CAS 40093-94-5), with molecular formula C19H17Br2NO2 and molecular weight 448.96 g/mol. IUPAC: 1-[[(3,5-dibromo-2-hydroxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol.
Chemical Property Profile of 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol
Property Insights of 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol
The XLogP value of 5.2 indicates that 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol?
The CAS number of 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol is 40093-94-5.
What is the molecular formula of 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol?
The molecular formula of 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol is C19H17Br2NO2.
What is the molecular weight of 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol?
The molecular weight of 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol is 448.96 g/mol.
Where can I buy 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol?
You can request a quote for 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol?
Yes, KEHONG BIO provides custom synthesis services for 1-(((3,5-Dibromo-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.