2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride
TL;DR: 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride (CAS 101772-50-3) is a chemical compound with molecular formula C20H30ClN7O4 and molecular weight 467.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[5-[[5-[(3-amino-3-oxopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-trimethylazanium chloride
Also Known As: 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride, [2-[[5-[[5-[(3-amino-3-oxopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-trimethylazanium;chloride, Ethanaminium, 2-((5-(((5-(((3-amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxo-, chloride, [2-[[5-[[5-[(3-amino-3-oxopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-trimethylazanium chloride, 3-(1-methyl-4-{1-methyl-4-[(trimethylammonio)acetamido]pyrrole-2-carboxamido}pyrrole-2-carboxamido)propionamide chloride
| Molecular Formula | C20H30ClN7O4 |
|---|---|
| Molecular Weight | 467.20 g/mol |
| LogP | -3.1302 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.20477 |
| Heavy Atoms | 32 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 101772-50-3 |
|---|---|
| SMILES | CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=O)N)C)NC(=O)C[N+](C)(C)C.[Cl-] |
| InChIKey | ONYYBYWJPYTQAV-UHFFFAOYSA-N |
Product Overview
2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride (CAS 101772-50-3), with molecular formula C20H30ClN7O4 and molecular weight 467.20 g/mol. IUPAC: [2-[[5-[[5-[(3-amino-3-oxopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-2-oxoethyl]-trimethylazanium chloride.
Chemical Property Profile of 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride
Property Insights of 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride
The XLogP value of -3.1302 indicates that 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride has 4 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 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride?
The CAS number of 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride is 101772-50-3.
What is the molecular formula of 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride?
The molecular formula of 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride is C20H30ClN7O4.
What is the molecular weight of 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride?
The molecular weight of 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride is 467.20 g/mol.
Where can I buy 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride?
You can request a quote for 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(((5-(((3-Amino-3-oxopropyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-N,N,N-trimethyl-2-oxoethanaminium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.