RefChem:1056687
TL;DR: RefChem:1056687 (CAS 5339-69-5) is a chemical compound with molecular formula C25H38Cl2N2O and molecular weight 452.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1-(4-methylpiperazin-1-yl)-3-phenylheptan-3-ol;dihydrochloride
Also Known As: 1-Butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-1-propanol dihydrochloride, 1-Piperazinepropanol, beta-benzyl-alpha-butyl-4-methyl-alpha-phenyl-, dihydrochloride, 2-benzyl-1-(4-methylpiperazin-1-yl)-3-phenylheptan-3-ol dihydrochloride, 1-Propanol, 1-butyl-1,3-diphenyl-2-(4-methyl-1-piperazinylmethyl)-, dihydrochloride, beta-Benzyl-alpha-butyl-4-methyl-alpha-phenyl-1-piperazinepropanol dihydrochloride
| Molecular Formula | C25H38Cl2N2O |
|---|---|
| Molecular Weight | 452.24 g/mol |
| LogP | 5.0143 |
| Topological Polar Surface Area | 26.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.2361 |
| Heavy Atoms | 30 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 5339-69-5 |
|---|---|
| SMILES | CCCCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)CN3CCN(CC3)C)O.Cl.Cl |
| InChIKey | QXOKTPHGJNCWRB-UHFFFAOYSA-N |
Product Overview
RefChem:1056687 (CAS 5339-69-5), with molecular formula C25H38Cl2N2O and molecular weight 452.24 g/mol. IUPAC: 2-benzyl-1-(4-methylpiperazin-1-yl)-3-phenylheptan-3-ol;dihydrochloride.
Chemical Property Profile of RefChem:1056687
Property Insights of RefChem:1056687
The XLogP value of 5.0143 indicates that RefChem:1056687 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:1056687 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056687 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1056687?
The CAS number of RefChem:1056687 is 5339-69-5.
What is the molecular formula of RefChem:1056687?
The molecular formula of RefChem:1056687 is C25H38Cl2N2O.
What is the molecular weight of RefChem:1056687?
The molecular weight of RefChem:1056687 is 452.24 g/mol.
Where can I buy RefChem:1056687?
You can request a quote for RefChem:1056687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056687?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.