RefChem:316902
TL;DR: RefChem:316902 (CAS 66922-71-2) is a chemical compound with molecular formula C19H26Cl2N4O4 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
Also Known As: Acetophenone, 2-(4-(2-pyrimidyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride, 1-(2-Pyrimidyl)-4-(3,4,5-trimethoxybenzoylmethyl)piperazine dihydrochloride, 2-(4-(2-Pyrimidyl)piperazinyl)-3',4',5'-trimethoxyacetophenone dihydrochloride, Piperazine, 1-(2-pyrimidyl)-4-(3,4,5-trimethyoxybenzoylmethyl)-, dihydrochloride, 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone dihydrochloride
| Molecular Formula | C19H26Cl2N4O4 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 2.35 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.13312 |
| Heavy Atoms | 29 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 66922-71-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCN(CC2)C3=NC=CC=N3.Cl.Cl |
| InChIKey | HUKJJFWNGNBQQO-UHFFFAOYSA-N |
Product Overview
RefChem:316902 (CAS 66922-71-2), with molecular formula C19H26Cl2N4O4 and molecular weight 444.13 g/mol. IUPAC: 2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride.
Chemical Property Profile of RefChem:316902
Property Insights of RefChem:316902
The XLogP value of 2.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:316902. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316902. Following Lipinski's Rule of Five, RefChem:316902 has 2 hydrogen bond donor(s) and 8 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:316902?
The CAS number of RefChem:316902 is 66922-71-2.
What is the molecular formula of RefChem:316902?
The molecular formula of RefChem:316902 is C19H26Cl2N4O4.
What is the molecular weight of RefChem:316902?
The molecular weight of RefChem:316902 is 444.13 g/mol.
Where can I buy RefChem:316902?
You can request a quote for RefChem:316902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316902?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.