Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride
TL;DR: Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride (CAS 110530-52-4) is a chemical compound with molecular formula C21H28Cl2N2O2 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperazin-1-yl)ethyl 2,2-diphenylacetate;dihydrochloride
Also Known As: ACETIC ACID, DIPHENYL-, 2-(4-METHYL-1-PIPERAZINYL)ETHYL ESTER, DIHYDROCHLORIDE, Diphenylacetic acid 2-(4-methyl-1-piperazinyl)ethyl ester dihydrochloride, 2-(4-methylpiperazin-1-yl)ethyl diphenylacetate dihydrochloride, 2-(4-methylpiperazin-1-yl)ethyl 2,2-diphenylacetate dihydrochloride, 2-(4-Methylpiperazin-1-yl)ethyl diphenylacetate--hydrogen chloride (1/2)
| Molecular Formula | C21H28Cl2N2O2 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 3.45 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.15277 |
| Heavy Atoms | 27 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 110530-52-4 |
|---|---|
| SMILES | CN1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl |
| InChIKey | VNEGGAUSFGBNNB-UHFFFAOYSA-N |
Product Overview
Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride (CAS 110530-52-4), with molecular formula C21H28Cl2N2O2 and molecular weight 410.15 g/mol. IUPAC: 2-(4-methylpiperazin-1-yl)ethyl 2,2-diphenylacetate;dihydrochloride.
Chemical Property Profile of Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride
Property Insights of Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride
The XLogP value of 3.45 indicates that Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride has 2 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 Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride?
The CAS number of Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride is 110530-52-4.
What is the molecular formula of Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride?
The molecular formula of Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride is C21H28Cl2N2O2.
What is the molecular weight of Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride?
The molecular weight of Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride is 410.15 g/mol.
Where can I buy Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride?
You can request a quote for Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, diphenyl-, 2-(4-methyl-1-piperazinyl)ethyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.