Dinoseb-diolamine
TL;DR: Dinoseb-diolamine (CAS 53404-43-6) is a chemical compound with molecular formula C14H23N3O7 and molecular weight 345.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butan-2-yl-4,6-dinitrophenol;2-(2-hydroxyethylamino)ethanol
Also Known As: Dinoseb-diolamine, Dinoseb-diolamine [ISO], Dinoseb, diethanolamine salt, EINECS 258-532-6, 2-sec-Butyl-4,6-dinitrophenol, compound with 2,2'-iminodiethanol (1:1)
| Molecular Formula | C14H23N3O7 |
|---|---|
| Molecular Weight | 345.15 g/mol |
| LogP | 1.2827 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 345.1536 |
| Heavy Atoms | 24 |
| Complexity | 547.41473 |
Chemical Identifiers
| CAS Number | 53404-43-6 |
|---|---|
| SMILES | CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O.C(CO)NCCO |
Product Overview
Dinoseb-diolamine (CAS 53404-43-6), with molecular formula C14H23N3O7 and molecular weight 345.15 g/mol. IUPAC: 2-butan-2-yl-4,6-dinitrophenol;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of Dinoseb-diolamine
Property Insights of Dinoseb-diolamine
The XLogP value of 1.2827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dinoseb-diolamine. The TPSA of 159.0 Ų indicates high polarity, suggesting Dinoseb-diolamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dinoseb-diolamine has 4 hydrogen bond donor(s) and 8 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 Dinoseb-diolamine?
The CAS number of Dinoseb-diolamine is 53404-43-6.
What is the molecular formula of Dinoseb-diolamine?
The molecular formula of Dinoseb-diolamine is C14H23N3O7.
What is the molecular weight of Dinoseb-diolamine?
The molecular weight of Dinoseb-diolamine is 345.15 g/mol.
Where can I buy Dinoseb-diolamine?
You can request a quote for Dinoseb-diolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinoseb-diolamine?
Yes, KEHONG BIO provides custom synthesis services for Dinoseb-diolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.