RefChem:316908
TL;DR: RefChem:316908 (CAS 16785-31-2) is a chemical compound with molecular formula C26H38Cl2N2O4 and molecular weight 512.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-[3,4,5-tris(hydroxymethyl)phenyl]ethanone;dihydrochloride
Also Known As: Acetophenone, 2-(4-(p-tert-butylbenzyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride, 1-(p-tert-Butylbenzyl)-4-(3,4,5-trimethoxybenzoylemethyl)piperazine dihydrochloride, 2-(4-(p-tert-Butylbenzyl)piperazinyl)-3',4',5'-trimethoxyacetophenone dihydrochloride, Piperazine, 1-(p-tert-butylbenzyl)-4-(3,4,5-trimethoxybenzoylmethyl)-, dihydrochloride, ACETOPHENONE,2-(4-(P-TERT-BUTYLBENZYL)PIPERAZINYL)-3,4,5-TRIMETHOXY-,DIHYDR
| Molecular Formula | C26H38Cl2N2O4 |
|---|---|
| Molecular Weight | 512.22 g/mol |
| LogP | 3.31 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.2209 |
| Heavy Atoms | 34 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 16785-31-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)CC(=O)C3=CC(=C(C(=C3)CO)CO)CO.Cl.Cl |
| InChIKey | SLQYSWPYVBTZPE-UHFFFAOYSA-N |
Product Overview
RefChem:316908 (CAS 16785-31-2), with molecular formula C26H38Cl2N2O4 and molecular weight 512.22 g/mol. IUPAC: 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-1-[3,4,5-tris(hydroxymethyl)phenyl]ethanone;dihydrochloride.
Chemical Property Profile of RefChem:316908
Property Insights of RefChem:316908
The XLogP value of 3.31 indicates that RefChem:316908 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316908. Following Lipinski's Rule of Five, RefChem:316908 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:316908?
The CAS number of RefChem:316908 is 16785-31-2.
What is the molecular formula of RefChem:316908?
The molecular formula of RefChem:316908 is C26H38Cl2N2O4.
What is the molecular weight of RefChem:316908?
The molecular weight of RefChem:316908 is 512.22 g/mol.
Where can I buy RefChem:316908?
You can request a quote for RefChem:316908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316908?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.