5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride
TL;DR: 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride (CAS 29538-92-9) is a chemical compound with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-3-(4-methylbenzoyl)-1-benzofuran-4-yl]methyl-dimethylazanium chloride
Also Known As: 5-BENZOFURANOL, 4-DIMETHYLAMINOMETHYL-3-(p-TOLUOYL)-, HYDROCHLORIDE, 4-Dimethylaminomethyl-5-hydroxy-3-(p-toluoyl)benzofuran hydrochloride, [5-hydroxy-3-(4-methylbenzoyl)-1-benzofuran-4-yl]methyl-dimethylazanium;chloride, [5-hydroxy-3-(4-methylbenzoyl)-1-benzofuran-4-yl]methyl-dimethylazanium chloride, Ketone, 4-[(dimethylamino)methyl]-5-hydroxy-3-benzofuranyl p-tolyl, hydrochloride
| Molecular Formula | C19H20ClNO3 |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | -0.67 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.11316 |
| Heavy Atoms | 24 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 29538-92-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)C[NH+](C)C.[Cl-] |
| InChIKey | SNCNWRXWAJHVIW-UHFFFAOYSA-N |
Product Overview
5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride (CAS 29538-92-9), with molecular formula C19H20ClNO3 and molecular weight 345.11 g/mol. IUPAC: [5-hydroxy-3-(4-methylbenzoyl)-1-benzofuran-4-yl]methyl-dimethylazanium chloride.
Chemical Property Profile of 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride
Property Insights of 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride
The XLogP value of -0.67 indicates that 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.9 Ų, 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride has 2 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 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride?
The CAS number of 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride is 29538-92-9.
What is the molecular formula of 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride?
The molecular formula of 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride is C19H20ClNO3.
What is the molecular weight of 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride?
The molecular weight of 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride is 345.11 g/mol.
Where can I buy 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride?
You can request a quote for 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, 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, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzofuranol, 4-dimethylaminomethyl-3-(p-toluoyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.