4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone
TL;DR: 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone (CAS 41332-22-3) is a chemical compound with molecular formula C27H30N2O4 and molecular weight 446.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzhydrylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Also Known As: BAS 04086523, AI-981/10248009, 1-benzhydryl-4-(3,4,5-trimethoxybenzoyl)piperazine, 4-(diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone, (4-benzhydrylpiperazin-1-yl)(3,4,5-trimethoxyphenyl)methanone
| Molecular Formula | C27H30N2O4 |
|---|---|
| Molecular Weight | 446.22 g/mol |
| LogP | 4.2598 |
| Topological Polar Surface Area | 51.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.22055 |
| Heavy Atoms | 33 |
| Complexity | 999.48926 |
Chemical Identifiers
| CAS Number | 41332-22-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone (CAS 41332-22-3), with molecular formula C27H30N2O4 and molecular weight 446.22 g/mol. IUPAC: (4-benzhydrylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone
Property Insights of 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone
The XLogP value of 4.2598 indicates that 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.24 Ų, 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone has 0 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 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone?
The CAS number of 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone is 41332-22-3.
What is the molecular formula of 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone?
The molecular formula of 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone is C27H30N2O4.
What is the molecular weight of 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone?
The molecular weight of 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone is 446.22 g/mol.
Where can I buy 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone?
You can request a quote for 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diphenylmethyl)piperazinyl 3,4,5-trimethoxyphenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.