4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium
TL;DR: 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium (CAS 53468-88-5) is a chemical compound with molecular formula C14H17N2O2+ and molecular weight 245.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl-trimethylazanium
Also Known As: MPTA, 4-(N-Maleimido)benzyltrimethylammonium, 4-(N-Maleimido)benzyltrimethylammonium iodide, J1.301.550C, [4-(2,5-dioxopyrrol-1-yl)phenyl]methyl-trimethylazanium
| Molecular Formula | C14H17N2O2+ |
|---|---|
| Molecular Weight | 245.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.129 |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 53468-88-5 |
|---|---|
| SMILES | C[N+](C)(C)CC1=CC=C(C=C1)N2C(=O)C=CC2=O |
| InChIKey | ZROGCTVOCDHUKJ-UHFFFAOYSA-N |
Product Overview
4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium (CAS 53468-88-5), with molecular formula C14H17N2O2+ and molecular weight 245.13 g/mol. IUPAC: [4-(2,5-dioxopyrrol-1-yl)phenyl]methyl-trimethylazanium.
Chemical Property Profile of 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium
Property Insights of 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium. With a topological polar surface area (TPSA) of 37.4 Ų, 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium has 0 hydrogen bond donor(s) and 2 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-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium?
The CAS number of 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium is 53468-88-5.
What is the molecular formula of 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium?
The molecular formula of 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium is C14H17N2O2+.
What is the molecular weight of 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium?
The molecular weight of 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium is 245.13 g/mol.
Where can I buy 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium?
You can request a quote for 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-N,N,N-trimethylbenzenemethanaminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.