5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride
TL;DR: 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride (CAS 63112-48-1) is a chemical compound with molecular formula C17H17ClN2O4 and molecular weight 348.08768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-hydroxy-6-nitro-2-phenyl-1-benzofuran-4-yl)methyl-dimethylazanium chloride
Also Known As: 4-((Dimethylamino)methyl)-6-nitro-2-phenyl-5-benzofuranol hydrochloride, 2-Phenyl-4-dimethylaminomethyl-5-hydroxy-6-nitrobenzofuran hydrochloride, 5-BENZOFURANOL, 4-((DIMETHYLAMINO)METHYL)-6-NITRO-2-PHENYL-, HYDROCHLORIDE, (5-Hydroxy-6-nitro-2-phenyl-1-benzofuran-4-yl)methyl-dimethylazaniumchloride, (5-hydroxy-6-nitro-2-phenyl-1-benzofuran-4-yl)methyl-dimethylazanium chloride
Technical Specifications
| Molecular Formula | C17H17ClN2O4 |
| Molecular Weight | 348.08768 g/mol |
| XLogP | -0.64 |
| Topological Polar Surface Area (TPSA) | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.08768 Da |
| Heavy Atoms | 24 |
| Complexity | 419.0 |
| SMILES | C[NH+](C)CC1=C(C(=CC2=C1C=C(O2)C3=CC=CC=C3)[N+](=O)[O-])O.[Cl-] |
| InChIKey | KMVPIIAKAGYKOV-UHFFFAOYSA-N |
Chemical Property Profile of 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride
Property Insights of 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride
The XLogP value of -0.64 indicates that 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride. Following Lipinski's Rule of Five, 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride 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
What is the CAS number of 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride?
The CAS number of 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride is 63112-48-1.
What is the molecular formula of 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride?
The molecular formula of 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride is C17H17ClN2O4.
What is the molecular weight of 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride?
The molecular weight of 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride is 348.08768 g/mol.
Where can I buy 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride?
You can request a quote for 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for 5-Benzofuranol, 4-((dimethylamino)methyl)-6-nitro-2-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.