1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride
TL;DR: 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride (CAS 478653-98-4) is a chemical compound with molecular formula C21H29Cl3N2O2 and molecular weight 446.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol;dihydrochloride
Also Known As: 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride, VU0494034-1, F0840-0211, 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methyl-phenoxy)propan-2-ol Dihydrochloride, 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol;dihydrochloride
| Molecular Formula | C21H29Cl3N2O2 |
|---|---|
| Molecular Weight | 446.13 g/mol |
| LogP | 4.04952 |
| Topological Polar Surface Area | 35.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.12946 |
| Heavy Atoms | 28 |
| Complexity | 695.305 |
Chemical Identifiers
| CAS Number | 478653-98-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O)Cl.Cl.Cl |
Product Overview
1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride (CAS 478653-98-4), with molecular formula C21H29Cl3N2O2 and molecular weight 446.13 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol;dihydrochloride.
Chemical Property Profile of 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride
Property Insights of 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride
The XLogP value of 4.04952 indicates that 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.94 Ų, 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride has 1 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 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride?
The CAS number of 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride is 478653-98-4.
What is the molecular formula of 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride?
The molecular formula of 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride is C21H29Cl3N2O2.
What is the molecular weight of 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride?
The molecular weight of 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride is 446.13 g/mol.
Where can I buy 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride?
You can request a quote for 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-benzylpiperazin-1-yl)-3-(4-chloro-3-methylphenoxy)propan-2-ol dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.