RefChem:1056688
TL;DR: RefChem:1056688 (CAS 53399-18-1) is a chemical compound with molecular formula C24H36Cl2N2O and molecular weight 438.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol;dihydrochloride
Also Known As: beta-Benzyl-alpha-isopropyl-4-methyl-alpha-phenyl-1-piperazinepropanol dihydrochloride, 1-Piperazinepropanol, beta-benzyl-alpha-isopropyl-4-methyl-alpha-phenyl-, dihydrochloride, 1-Propanol, 1,3-diphenyl-1-isopropyl-2-(4-methyl-1-piperazinylmethyl)-, dihydrochloride, 2-benzyl-4-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol dihydrochloride, 2-benzyl-4-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol,dihydrochloride
| Molecular Formula | C24H36Cl2N2O |
|---|---|
| Molecular Weight | 438.22 g/mol |
| LogP | 4.4801 |
| Topological Polar Surface Area | 26.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.22046 |
| Heavy Atoms | 29 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 53399-18-1 |
|---|---|
| SMILES | CC(C)C(C1=CC=CC=C1)(C(CC2=CC=CC=C2)CN3CCN(CC3)C)O.Cl.Cl |
| InChIKey | IRNZJVIEIASJFY-UHFFFAOYSA-N |
Product Overview
RefChem:1056688 (CAS 53399-18-1), with molecular formula C24H36Cl2N2O and molecular weight 438.22 g/mol. IUPAC: 2-benzyl-4-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol;dihydrochloride.
Chemical Property Profile of RefChem:1056688
Property Insights of RefChem:1056688
The XLogP value of 4.4801 indicates that RefChem:1056688 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.7 Ų, RefChem:1056688 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056688 has 3 hydrogen bond donor(s) and 3 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:1056688?
The CAS number of RefChem:1056688 is 53399-18-1.
What is the molecular formula of RefChem:1056688?
The molecular formula of RefChem:1056688 is C24H36Cl2N2O.
What is the molecular weight of RefChem:1056688?
The molecular weight of RefChem:1056688 is 438.22 g/mol.
Where can I buy RefChem:1056688?
You can request a quote for RefChem:1056688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056688?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.