RefChem:328546
TL;DR: RefChem:328546 (CAS 88461-61-4) is a chemical compound with molecular formula C16H20ClNO4 and molecular weight 325.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(3-hydroxy-4-methoxyphenyl)methyl]azanium chloride
Also Known As: 1-(m-Hydroxyphenyl)-2-(4-methoxybenzyl)aminoethanol hydrochloride, Benzyl alcohol, 3-hydroxy-alpha-((((4-methoxyphenyl)methyl)amino)methyl)-, hydrochloride, 3-Hydroxy-alpha-((((4-methoxyphenyl)methyl)amino)methyl)benzyl alcohol hydrochloride, Benzenemethanol, 3-hydroxy-alpha-((((4-methoxyphenyl)methyl)amino)methyl)-, hydrochloride, [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(3-hydroxy-4-methoxyphenyl)methyl]azanium chloride
| Molecular Formula | C16H20ClNO4 |
|---|---|
| Molecular Weight | 325.11 g/mol |
| LogP | -2.09 |
| Topological Polar Surface Area | 86.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.1081 |
| Heavy Atoms | 22 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 88461-61-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C[NH2+]CC(C2=CC(=CC=C2)O)O)O.[Cl-] |
| InChIKey | BTUNMDYOEIJRDM-UHFFFAOYSA-N |
Product Overview
RefChem:328546 (CAS 88461-61-4), with molecular formula C16H20ClNO4 and molecular weight 325.11 g/mol. IUPAC: [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-[(3-hydroxy-4-methoxyphenyl)methyl]azanium chloride.
Chemical Property Profile of RefChem:328546
Property Insights of RefChem:328546
The XLogP value of -2.09 indicates that RefChem:328546 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:328546. Following Lipinski's Rule of Five, RefChem:328546 has 4 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:328546?
The CAS number of RefChem:328546 is 88461-61-4.
What is the molecular formula of RefChem:328546?
The molecular formula of RefChem:328546 is C16H20ClNO4.
What is the molecular weight of RefChem:328546?
The molecular weight of RefChem:328546 is 325.11 g/mol.
Where can I buy RefChem:328546?
You can request a quote for RefChem:328546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328546?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.