Ferrocin A
TL;DR: Ferrocin A (CAS 114550-08-2) is a chemical compound with molecular formula C51H82FeN13O19 and molecular weight 1236.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
iron(3+);(E)-N-[6,15,27-tris[3-[acetyl(oxido)amino]propyl]-18-(hydroxymethyl)-12-methyl-2,5,8,11,14,17,20,23,26,29-decaoxo-21-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]dec-3-enamide
Also Known As: Ferrocin A, TAN 866A, Iron, (N-(N(sup 5)-acetyl-N(sup 2)-(N-(N-(N(sup 5)-acetyl-N(sup 2)-(N-(N-(N-(N(sup 5)-acetyl-N(sup 5)-hydroxy-N(sup 2)-(N-(1-oxo-3-decenyl)-L-seryl)-L-ornithyl)glycyl)-L-valyl)-L-seryl)-N(sup 5)-hydroxy-L-ornithyl)-L-alanyl)glycyl)-N(sup 5)-hydroxy-L-ornithyl)glycyl)-N(sup 5)-hydroxy-L-ornithyl)glycine epsilon(sup 1)-lactonato(3-))-, Iron, (N-(N5-acetyl-N2-(N-(N-(N5-acetyl-N2-(N-(N-(N-(N5-acetyl-N5-hydroxy-N2-(N-(1-oxo-3-decenyl)-L-seryl)-L-ornithyl)glycyl)-L-valyl)-L-seryl)-N5-hydroxy-L-ornithyl)-L-alanyl)glycyl)-N5-hydroxy-L-ornithyl)glycine epsilon1-lactonato(3-))-, iron(3+); (E)-N-[6,15,27-tris[3-[acetyl(oxido)amino]propyl]-18-(hydroxymethyl)-12-methyl-2,5,8,11,14,17,20,23,26,29-decaoxo-21-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]dec-3-enamide
| Molecular Formula | C51H82FeN13O19 |
|---|---|
| Molecular Weight | 1236.52 g/mol |
| LogP | -3.7527 |
| Topological Polar Surface Area | 467.64 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 22 |
| Exact Mass | 1236.5199 |
| Heavy Atoms | 84 |
| Complexity | 2277.6052 |
Chemical Identifiers
| CAS Number | 114550-08-2 |
|---|---|
| SMILES | CCCCCC/C=C/CC(=O)NC1COC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC1=O)CCCN(C(=O)C)[O-])C(C)C)CO)CCCN(C(=O)C)[O-])C)CCCN(C(=O)C)[O-].[Fe+3] |
Product Overview
Ferrocin A (CAS 114550-08-2), with molecular formula C51H82FeN13O19 and molecular weight 1236.52 g/mol. IUPAC: iron(3+);(E)-N-[6,15,27-tris[3-[acetyl(oxido)amino]propyl]-18-(hydroxymethyl)-12-methyl-2,5,8,11,14,17,20,23,26,29-decaoxo-21-propan-2-yl-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]dec-3-enamide.
Chemical Property Profile of Ferrocin A
Property Insights of Ferrocin A
The XLogP value of -3.7527 indicates that Ferrocin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 467.64 Ų indicates high polarity, suggesting Ferrocin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ferrocin A has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ferrocin A?
The CAS number of Ferrocin A is 114550-08-2.
What is the molecular formula of Ferrocin A?
The molecular formula of Ferrocin A is C51H82FeN13O19.
What is the molecular weight of Ferrocin A?
The molecular weight of Ferrocin A is 1236.52 g/mol.
Where can I buy Ferrocin A?
You can request a quote for Ferrocin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ferrocin A?
Yes, KEHONG BIO provides custom synthesis services for Ferrocin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.