Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate
TL;DR: Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate (CAS 537700-95-1) is a chemical compound with molecular formula C28H32N2O4 and molecular weight 460.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]benzoate
Also Known As: methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate, F1246-0044, methyl 4-{3-[4-(diphenylmethyl)piperazin-1-yl]-2-hydroxypropoxy}benzoate, methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]benzoate, Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxy-propoxy]benzoate
| Molecular Formula | C28H32N2O4 |
|---|---|
| Molecular Weight | 460.24 g/mol |
| LogP | 3.6201 |
| Topological Polar Surface Area | 62.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.2362 |
| Heavy Atoms | 34 |
| Complexity | 979.7913 |
Chemical Identifiers
| CAS Number | 537700-95-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O |
Product Overview
Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate (CAS 537700-95-1), with molecular formula C28H32N2O4 and molecular weight 460.24 g/mol. IUPAC: methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy]benzoate.
Chemical Property Profile of Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate
Property Insights of Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate
The XLogP value of 3.6201 indicates that Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate. Following Lipinski's Rule of Five, Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate has 1 hydrogen bond donor(s) and 6 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 Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate?
The CAS number of Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate is 537700-95-1.
What is the molecular formula of Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate?
The molecular formula of Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate is C28H32N2O4.
What is the molecular weight of Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate?
The molecular weight of Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate is 460.24 g/mol.
Where can I buy Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate?
You can request a quote for Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.