RefChem:233716
TL;DR: RefChem:233716 (CAS 52400-66-5) is a chemical compound with molecular formula C16H26Cl2N2O3 and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperazin-1-yl]ethanol;dihydrochloride
Also Known As: 1-Piperazineethanol, 4-(2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)-, dihydrochloride, 4-(2-(2-Methyl-1,3-benzodioxol-2-yl)ethyl)piperazin-1-yl-2-ethanol dihydrochloride, 2-{4-[2-(2-Methyl-1,3-benzodioxol-2-yl)ethyl]-1-piperazinyl}, 2-[4-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperazin-1-yl]ethanol dihydrochloride, 2-{4-[2-(2-Methyl-2H-1,3-benzodioxol-2-yl)ethyl]piperazin-1-yl}ethan-1-ol--hydrogen chloride (1/2)
| Molecular Formula | C16H26Cl2N2O3 |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 2.0176 |
| Topological Polar Surface Area | 45.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.13205 |
| Heavy Atoms | 23 |
| Complexity | 457.14807 |
Chemical Identifiers
| CAS Number | 52400-66-5 |
|---|---|
| SMILES | CC1(OC2=CC=CC=C2O1)CCN3CCN(CC3)CCO.Cl.Cl |
Product Overview
RefChem:233716 (CAS 52400-66-5), with molecular formula C16H26Cl2N2O3 and molecular weight 364.13 g/mol. IUPAC: 2-[4-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperazin-1-yl]ethanol;dihydrochloride.
Chemical Property Profile of RefChem:233716
Property Insights of RefChem:233716
The XLogP value of 2.0176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:233716. With a topological polar surface area (TPSA) of 45.17 Ų, RefChem:233716 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:233716 has 1 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:233716?
The CAS number of RefChem:233716 is 52400-66-5.
What is the molecular formula of RefChem:233716?
The molecular formula of RefChem:233716 is C16H26Cl2N2O3.
What is the molecular weight of RefChem:233716?
The molecular weight of RefChem:233716 is 364.13 g/mol.
Where can I buy RefChem:233716?
You can request a quote for RefChem:233716 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233716?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233716 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.