Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride
TL;DR: Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride (CAS 77905-49-8) is a chemical compound with molecular formula C15H25ClN2O5 and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-hydroxyethyl)-[[4-(2-methylpropoxy)-3-nitrophenyl]methyl]azanium chloride
Also Known As: 2,2'-((4-Isobutoxy-3-nitrobenzyl)imino)diethanol hydrochloride, 4-Isobutoxy-3-nitrobenzyl-bis(2-hydroxyethyl)amine hydrochloride, ETHANOL, 2,2'-((4-ISOBUTOXY-3-NITROBENZYL)IMINO)DI-, HYDROCHLORIDE, bis(2-hydroxyethyl)-[[4-(2-methylpropoxy)-3-nitrophenyl]methyl]azaniumchloride, bis(2-hydroxyethyl)-[[4-(2-methylpropoxy)-3-nitrophenyl]methyl]azanium chloride
| Molecular Formula | C15H25ClN2O5 |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 348.1452 |
| Heavy Atoms | 23 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 77905-49-8 |
|---|---|
| SMILES | CC(C)COC1=C(C=C(C=C1)C[NH+](CCO)CCO)[N+](=O)[O-].[Cl-] |
| InChIKey | IILZWSKMOXRWIW-UHFFFAOYSA-N |
Product Overview
Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride (CAS 77905-49-8), with molecular formula C15H25ClN2O5 and molecular weight 348.15 g/mol. IUPAC: bis(2-hydroxyethyl)-[[4-(2-methylpropoxy)-3-nitrophenyl]methyl]azanium chloride.
Chemical Property Profile of Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride
Property Insights of Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride
The XLogP value of -3.0 indicates that Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride. Following Lipinski's Rule of Five, Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride has 3 hydrogen bond donor(s) and 6 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 Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride?
The CAS number of Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride is 77905-49-8.
What is the molecular formula of Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride?
The molecular formula of Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride is C15H25ClN2O5.
What is the molecular weight of Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride?
The molecular weight of Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride is 348.15 g/mol.
Where can I buy Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride?
You can request a quote for Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2,2'-((4-isobutoxy-3-nitrobenzyl)imino)di-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.