RefChem:328559
TL;DR: RefChem:328559 (CAS 88461-62-5) is a chemical compound with molecular formula C17H22ClNO4 and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)methyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride
Also Known As: Benzyl alcohol, alpha-((((3,4-dimethoxyphenyl)methyl)amino)methyl)-3-hydroxy-, hydrochloride, alpha-((((3,4-Dimethoxyphenyl)methyl)amino)methyl)-3-hydroxybenzyl alcohol hydrochloride, (3,4-dimethoxyphenyl)methyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride, RefChem:328559
| Molecular Formula | C17H22ClNO4 |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | -1.79 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.12375 |
| Heavy Atoms | 23 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 88461-62-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C[NH2+]CC(C2=CC(=CC=C2)O)O)OC.[Cl-] |
| InChIKey | GEUTYWHFBWZKKS-UHFFFAOYSA-N |
Product Overview
RefChem:328559 (CAS 88461-62-5), with molecular formula C17H22ClNO4 and molecular weight 339.12 g/mol. IUPAC: (3,4-dimethoxyphenyl)methyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride.
Chemical Property Profile of RefChem:328559
Property Insights of RefChem:328559
The XLogP value of -1.79 indicates that RefChem:328559 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:328559. Following Lipinski's Rule of Five, RefChem:328559 has 3 hydrogen bond donor(s) and 5 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:328559?
The CAS number of RefChem:328559 is 88461-62-5.
What is the molecular formula of RefChem:328559?
The molecular formula of RefChem:328559 is C17H22ClNO4.
What is the molecular weight of RefChem:328559?
The molecular weight of RefChem:328559 is 339.12 g/mol.
Where can I buy RefChem:328559?
You can request a quote for RefChem:328559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328559?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.