RefChem:1067356
TL;DR: RefChem:1067356 (CAS 29540-35-0) is a chemical compound with molecular formula C18H20ClNO3 and molecular weight 333.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-3-[hydroxy(phenyl)methyl]-1-benzofuran-4-yl]methyl-dimethylazanium chloride
Also Known As: 5-BENZOFURANOL, 4-DIMETHYLAMINOMETHYL-3-(alpha-HYDROXYBENZYL)-, HYDROCHLORIDE, 4-Dimethylaminomethyl-5-hydroxy-3-(alpha-hydroxy)benzylbenzofuran hydrochloride, [5-hydroxy-3-[hydroxy(phenyl)methyl]-1-benzofuran-4-yl]methyl-dimethylazanium chloride, 3-Benzofuranmethanol, 4-[(dimethylamino)methyl]-5-hydroxy-.alpha.-phenyl-, hydrochloride, 3-Benzofuranmethanol, 4-((dimethylamino)methyl)-5-hydroxy-alpha-phenyl-, hydrochloride (1:1)
| Molecular Formula | C18H20ClNO3 |
|---|---|
| Molecular Weight | 333.11 g/mol |
| LogP | -1.13 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.11316 |
| Heavy Atoms | 23 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 29540-35-0 |
|---|---|
| SMILES | C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(C3=CC=CC=C3)O)O.[Cl-] |
| InChIKey | ZZMIMGCANUQYKF-UHFFFAOYSA-N |
Product Overview
RefChem:1067356 (CAS 29540-35-0), with molecular formula C18H20ClNO3 and molecular weight 333.11 g/mol. IUPAC: [5-hydroxy-3-[hydroxy(phenyl)methyl]-1-benzofuran-4-yl]methyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:1067356
Property Insights of RefChem:1067356
The XLogP value of -1.13 indicates that RefChem:1067356 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.0 Ų, RefChem:1067356 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1067356 has 3 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 RefChem:1067356?
The CAS number of RefChem:1067356 is 29540-35-0.
What is the molecular formula of RefChem:1067356?
The molecular formula of RefChem:1067356 is C18H20ClNO3.
What is the molecular weight of RefChem:1067356?
The molecular weight of RefChem:1067356 is 333.11 g/mol.
Where can I buy RefChem:1067356?
You can request a quote for RefChem:1067356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1067356?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1067356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.