五-N-甲基吡咯甲酰胺-EDTA-铁(II)
TL;DR: 五-N-甲基吡咯甲酰胺-EDTA-铁(II) (CAS 88411-60-3) is a chemical compound with molecular formula C49H63FeN15O13 and molecular weight 1125.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五-N-甲基吡咯甲酰胺-EDTA-铁(II)
2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[[4-[[5-[[5-[[5-[[5-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]amino]-2-oxoethyl]amino]acetate;hydron;iron(2+)
Also Known As: P5E-Fe, Penta-N-methylpyrrolecarboxamide-edta-Fe(II), 2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[[4-[[5-[[5-[[5-[[5-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]amino]-2-oxoethyl]amino]acetate;hydron;iron(2+), Ferrate(1-), (N-(2-(bis(carboxymethyl)amino)ethyl)-N-(2-((4-((5-(((5-(((5-(((5-(((5-(((3-(dimethylamino)propyl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)carbonyl)-1-methyl-1H-pyrrol-3-yl)amino)-4-oxobutyl)amino)-2-oxoethyl)glycinato(3-))-, hydrogen, 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-[2-[[4-[[5-[[5-[[5-[[5-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]amino]-2-oxoethyl]amino]acetate; hydron; iron(2+)
| Molecular Formula | C49H63FeN15O13 |
|---|---|
| Molecular Weight | 1125.41 g/mol |
| LogP | -3.1316 |
| Topological Polar Surface Area | 358.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 26 |
| Exact Mass | 1125.408 |
| Heavy Atoms | 78 |
| Complexity | 2070.0 |
Chemical Identifiers
| CAS Number | 88411-60-3 |
|---|---|
| SMILES | [H+].CN1C=CC(=C1C(=O)NCCCN(C)C)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=CC(=CN4C)NC(=O)C5=CC(=CN5C)NC(=O)CCCNC(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+2] |
| InChIKey | KVFPDYMLWVCYKL-UHFFFAOYSA-L |
Product Overview
五-N-甲基吡咯甲酰胺-EDTA-铁(II) (CAS 88411-60-3), with molecular formula C49H63FeN15O13 and molecular weight 1125.41 g/mol. IUPAC: 2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[[4-[[5-[[5-[[5-[[5-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]amino]-2-oxoethyl]amino]acetate;hydron;iron(2+).
Chemical Property Profile of 五-N-甲基吡咯甲酰胺-EDTA-铁(II)
Property Insights of 五-N-甲基吡咯甲酰胺-EDTA-铁(II)
The XLogP value of -3.1316 indicates that 五-N-甲基吡咯甲酰胺-EDTA-铁(II) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 358.0 Ų indicates high polarity, suggesting 五-N-甲基吡咯甲酰胺-EDTA-铁(II) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 五-N-甲基吡咯甲酰胺-EDTA-铁(II) has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 五-N-甲基吡咯甲酰胺-EDTA-铁(II)?
The CAS number of 五-N-甲基吡咯甲酰胺-EDTA-铁(II) is 88411-60-3.
What is the molecular formula of 五-N-甲基吡咯甲酰胺-EDTA-铁(II)?
The molecular formula of 五-N-甲基吡咯甲酰胺-EDTA-铁(II) is C49H63FeN15O13.
What is the molecular weight of 五-N-甲基吡咯甲酰胺-EDTA-铁(II)?
The molecular weight of 五-N-甲基吡咯甲酰胺-EDTA-铁(II) is 1125.41 g/mol.
Where can I buy 五-N-甲基吡咯甲酰胺-EDTA-铁(II)?
You can request a quote for 五-N-甲基吡咯甲酰胺-EDTA-铁(II) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五-N-甲基吡咯甲酰胺-EDTA-铁(II)?
Yes, KEHONG BIO provides custom synthesis services for 五-N-甲基吡咯甲酰胺-EDTA-铁(II) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.