5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride
TL;DR: 5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride (CAS 29538-91-8) is a chemical compound with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-5-hydroxy-1-benzofuran-4-yl)methyl-dimethylazanium chloride
Also Known As: 5-BENZOFURANOL, 3-BENZOYL-4-DIMETHYLAMINOMETHYL-, HYDROCHLORIDE, 3-Benzoyl-4-dimethylaminomethyl-5-hydroxybenzofuran hydrochloride, (3-benzoyl-5-hydroxy-1-benzofuran-4-yl)methyl-dimethylazanium chloride, Ketone, 4-[(dimethylamino)methyl]-5-hydroxy-3-benzofuranyl phenyl, hydrochloride, RefChem:301221
| Molecular Formula | C18H18ClNO3 |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | -0.98 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.09753 |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 29538-91-8 |
|---|---|
| SMILES | C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=CC=CC=C3)O.[Cl-] |
| InChIKey | RNYPDJICEWHDEW-UHFFFAOYSA-N |
Product Overview
5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride (CAS 29538-91-8), with molecular formula C18H18ClNO3 and molecular weight 331.10 g/mol. IUPAC: (3-benzoyl-5-hydroxy-1-benzofuran-4-yl)methyl-dimethylazanium chloride.
Chemical Property Profile of 5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride
Property Insights of 5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride
The XLogP value of -0.98 indicates that 5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, 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, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, 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, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride?
The CAS number of 5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride is 29538-91-8.
What is the molecular formula of 5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride?
The molecular formula of 5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride is C18H18ClNO3.
What is the molecular weight of 5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride?
The molecular weight of 5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride is 331.10 g/mol.
Where can I buy 5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride?
You can request a quote for 5-Benzofuranol, 3-benzoyl-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-benzoyl-4-dimethylaminomethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzofuranol, 3-benzoyl-4-dimethylaminomethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.