Ferrirhodin
TL;DR: Ferrirhodin (CAS 29825-06-7) is a chemical compound with molecular formula C41H64FeN9O17 and molecular weight 1010.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-N-[3-[11,14-bis(hydroxymethyl)-5,8-bis[3-[[(E)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-5-hydroxy-3-methyl-N-oxidopent-2-enamide;iron(3+)
Also Known As: Ferrirhodin, Ferrirubin, (Z)-N-[3-[11,14-bis(hydroxymethyl)-5,8-bis[3-[[(E)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-5-hydroxy-3-methyl-N-oxidopent-2-enamide; iron(3+)
| Molecular Formula | C41H64FeN9O17 |
|---|---|
| Molecular Weight | 1010.38 g/mol |
| LogP | -4.1718 |
| Topological Polar Surface Area | 405.86 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 23 |
| Exact Mass | 1010.37695 |
| Heavy Atoms | 68 |
| Complexity | 1800.5461 |
Chemical Identifiers
| CAS Number | 29825-06-7 |
|---|---|
| SMILES | C/C(=C/C(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CO)CO)CCCN(C(=O)/C=C(\C)/CCO)[O-])CCCN(C(=O)/C=C(\C)/CCO)[O-])[O-])/CCO.[Fe+3] |
Product Overview
Ferrirhodin (CAS 29825-06-7), with molecular formula C41H64FeN9O17 and molecular weight 1010.38 g/mol. IUPAC: (Z)-N-[3-[11,14-bis(hydroxymethyl)-5,8-bis[3-[[(E)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-5-hydroxy-3-methyl-N-oxidopent-2-enamide;iron(3+).
Chemical Property Profile of Ferrirhodin
Property Insights of Ferrirhodin
The XLogP value of -4.1718 indicates that Ferrirhodin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 405.86 Ų indicates high polarity, suggesting Ferrirhodin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ferrirhodin has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ferrirhodin?
The CAS number of Ferrirhodin is 29825-06-7.
What is the molecular formula of Ferrirhodin?
The molecular formula of Ferrirhodin is C41H64FeN9O17.
What is the molecular weight of Ferrirhodin?
The molecular weight of Ferrirhodin is 1010.38 g/mol.
Where can I buy Ferrirhodin?
You can request a quote for Ferrirhodin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ferrirhodin?
Yes, KEHONG BIO provides custom synthesis services for Ferrirhodin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.