![Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate structure](/static/products/3133/313380-90-4.webp)
Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
TL;DR: Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate (CAS 313380-90-4) is a chemical compound with molecular formula C29H29N3O4 and molecular weight 483.22 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)-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: BAS 00867026, A1686/0072000, methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate, methyl 4-{3-[4-(diphenylmethyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoate, methyl 4-{3-[4-(diphenylmethyl)piperazinyl]-2,5-dioxoazolidinyl}benzoate
| Molecular Formula | C29H29N3O4 |
|---|---|
| Molecular Weight | 483.22 g/mol |
| LogP | 3.5123 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.21582 |
| Heavy Atoms | 36 |
| Complexity | 1182.8937 |
Chemical Identifiers
| CAS Number | 313380-90-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate (CAS 313380-90-4), with molecular formula C29H29N3O4 and molecular weight 483.22 g/mol. IUPAC: methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
Property Insights of Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
The XLogP value of 3.5123 indicates that Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate has 0 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)-2,5-dioxopyrrolidin-1-yl]benzoate?
The CAS number of Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate is 313380-90-4.
What is the molecular formula of Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate?
The molecular formula of Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate is C29H29N3O4.
What is the molecular weight of Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate?
The molecular weight of Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate is 483.22 g/mol.
Where can I buy Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate?
You can request a quote for Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]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)-2,5-dioxopyrrolidin-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[3-(4-benzhydrylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.