2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride
TL;DR: 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride (CAS 72649-98-0) is a chemical compound with molecular formula C14H20ClN3O2 and molecular weight 297.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,3,5,6-tetramethyl-4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
Also Known As: 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride, 1H-Imidazole, 4,5-dihydro-2-((2,3,5,6-tetramethyl-4-nitrophenyl)methyl)-, monohydrochloride, 2-[(2,3,5,6-tetramethyl-4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole hydrochloride, 2-[(2,3,5,6-tetramethyl-4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole,hydrochloride, 2-[(2,3,5,6-Tetramethyl-4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole--hydrogen chloride (1/1)
| Molecular Formula | C14H20ClN3O2 |
|---|---|
| Molecular Weight | 297.12 g/mol |
| LogP | 2.79448 |
| Topological Polar Surface Area | 67.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.1244 |
| Heavy Atoms | 20 |
| Complexity | 553.26715 |
Chemical Identifiers
| CAS Number | 72649-98-0 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1CC2=NCCN2)C)C)[N+](=O)[O-])C.Cl |
Product Overview
2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride (CAS 72649-98-0), with molecular formula C14H20ClN3O2 and molecular weight 297.12 g/mol. IUPAC: 2-[(2,3,5,6-tetramethyl-4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride.
Chemical Property Profile of 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride
Property Insights of 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride
The XLogP value of 2.79448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride. The TPSA of 67.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride. Following Lipinski's Rule of Five, 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride has 1 hydrogen bond donor(s) and 4 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 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride?
The CAS number of 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride is 72649-98-0.
What is the molecular formula of 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride?
The molecular formula of 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride is C14H20ClN3O2.
What is the molecular weight of 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride?
The molecular weight of 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride is 297.12 g/mol.
Where can I buy 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride?
You can request a quote for 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3,5,6-Tetramethyl-4-nitrobenzyl)imidazoline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.