Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride
TL;DR: Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride (CAS 13339-21-4) is a chemical compound with molecular formula C20H26Cl2N2O3 and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoate;dihydrochloride
Also Known As: Methyl 2-hydroxy-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoate Dihydrochloride, methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride, Benzoic acid, 2-hydroxy-5-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-, methyl ester, hydrochloride (1:2)
| Molecular Formula | C20H26Cl2N2O3 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 3.65302 |
| Topological Polar Surface Area | 53.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.13205 |
| Heavy Atoms | 27 |
| Complexity | 762.6421 |
Chemical Identifiers
| CAS Number | 13339-21-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C(C=C3)O)C(=O)OC.Cl.Cl |
Product Overview
Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride (CAS 13339-21-4), with molecular formula C20H26Cl2N2O3 and molecular weight 412.13 g/mol. IUPAC: methyl 2-hydroxy-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoate;dihydrochloride.
Chemical Property Profile of Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride
Property Insights of Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride
The XLogP value of 3.65302 indicates that Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.01 Ų, Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride 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 Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride?
The CAS number of Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride is 13339-21-4.
What is the molecular formula of Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride?
The molecular formula of Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride is C20H26Cl2N2O3.
What is the molecular weight of Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride?
The molecular weight of Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride is 412.13 g/mol.
Where can I buy Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride?
You can request a quote for Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-5-((4-(o-tolyl)piperazin-1-yl)methyl)benzoate dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.