5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride
TL;DR: 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride (CAS 29538-95-2) is a chemical compound with molecular formula C20H22ClNO5 and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,4-dimethoxybenzoyl)-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium chloride
Also Known As: 5-BENZOFURANOL, 3-(3,4-DIMETHOXYBENZOYL)-4-DIMETHYLAMINOMETHYL-, HYDROCHLORIDE, 3-(3,4-Dimethoxybenzoyl)-4-dimethylaminomethyl-5-hydroxybenzofuran hydrochloride, [3-(3,4-dimethoxybenzoyl)-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium chloride, RefChem:301218
| Molecular Formula | C20H22ClNO5 |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | -0.96 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.11865 |
| Heavy Atoms | 27 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 29538-95-2 |
|---|---|
| SMILES | C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC(=C(C=C3)OC)OC)O.[Cl-] |
| InChIKey | FRMHFXTZCUPZAI-UHFFFAOYSA-N |
Product Overview
5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride (CAS 29538-95-2), with molecular formula C20H22ClNO5 and molecular weight 391.12 g/mol. IUPAC: [3-(3,4-dimethoxybenzoyl)-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium chloride.
Chemical Property Profile of 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride
Property Insights of 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride
The XLogP value of -0.96 indicates that 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride. Following Lipinski's Rule of Five, 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride has 2 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 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride?
The CAS number of 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride is 29538-95-2.
What is the molecular formula of 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride?
The molecular formula of 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride is C20H22ClNO5.
What is the molecular weight of 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride?
The molecular weight of 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride is 391.12 g/mol.
Where can I buy 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride?
You can request a quote for 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzofuranol, 3-(3,4-dimethoxybenzoyl)-4-dimethylaminomethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.