RefChem:1053774
TL;DR: RefChem:1053774 (CAS 13694-55-8) is a chemical compound with molecular formula C21H32Cl3N3O and molecular weight 447.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]-4-pyridin-2-ylpiperazine;trihydrochloride
Also Known As: 1-(beta-Isobutoxyphenethyl)-4-(2-pyridyl)piperazine trihydrochloride, Piperazine, 1-(beta-isobutoxyphenethyl)-4-(2-pyridyl)-, trihydrochloride, 1-(1-tert-Butoxy-2-phenylethyl)-4-(pyridin-2-yl)piperazine--hydrogen chloride (1/3), 1-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]-4-pyridin-2-ylpiperazine trihydrochloride, RefChem:1053774
| Molecular Formula | C21H32Cl3N3O |
|---|---|
| Molecular Weight | 447.16 g/mol |
| LogP | 4.8529 |
| Topological Polar Surface Area | 28.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.1611 |
| Heavy Atoms | 28 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 13694-55-8 |
|---|---|
| SMILES | CC(C)(C)OC(CC1=CC=CC=C1)N2CCN(CC2)C3=CC=CC=N3.Cl.Cl.Cl |
| InChIKey | ONEJEBNLUPMPOL-UHFFFAOYSA-N |
Product Overview
RefChem:1053774 (CAS 13694-55-8), with molecular formula C21H32Cl3N3O and molecular weight 447.16 g/mol. IUPAC: 1-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]-4-pyridin-2-ylpiperazine;trihydrochloride.
Chemical Property Profile of RefChem:1053774
Property Insights of RefChem:1053774
The XLogP value of 4.8529 indicates that RefChem:1053774 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.6 Ų, RefChem:1053774 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053774 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:1053774?
The CAS number of RefChem:1053774 is 13694-55-8.
What is the molecular formula of RefChem:1053774?
The molecular formula of RefChem:1053774 is C21H32Cl3N3O.
What is the molecular weight of RefChem:1053774?
The molecular weight of RefChem:1053774 is 447.16 g/mol.
Where can I buy RefChem:1053774?
You can request a quote for RefChem:1053774 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053774?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053774 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.