siroheme
TL;DR: siroheme (CAS 52553-42-1) is a chemical compound with molecular formula C42H44FeN4O16 and molecular weight 916.21014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hydron;iron(2+);3-[7,13,17-tris(2-carboxylatoethyl)-3,8,12,18-tetrakis(carboxylatomethyl)-3,8-dimethyl-2,7-dihydroporphyrin-23,24-diid-2-yl]propanoate
Also Known As: siroheme, Sirohaem, Octacarboxylate iron-tetrahydroporphyrin, hydron;iron(2+);3-[7,13,17-tris(2-carboxylatoethyl)-3,8,12,18-tetrakis(carboxylatomethyl)-3,8-dimethyl-2,7-dihydroporphyrin-23,24-diid-2-yl]propanoate, 3-[3,8-dimethyl-3,8,12,18-tetrakis(2-oxido-2-oxoethyl)-7,13,17-tris(3-oxido-3-oxopropyl)-2,7-dihydroporphyrin-23,24-diid-2-yl]propanoate; hydron; iron(2+)
Technical Specifications
| Molecular Formula | C42H44FeN4O16 |
| Molecular Weight | 916.21014 g/mol |
| XLogP | -6.16 |
| Topological Polar Surface Area (TPSA) | 349.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 916.21014 Da |
| Heavy Atoms | 63 |
| Complexity | 1690.0 |
| SMILES | [H+].[H+].[H+].[H+].[H+].[H+].[H+].[H+].CC1(C(C2=NC1=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=C2)[N-]5)CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])C(C3CCC(=O)[O-])(C)CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-].[Fe+2] |
| InChIKey | DLKSSIHHLYNIKN-UHFFFAOYSA-L |
Chemical Property Profile of siroheme
Property Insights of siroheme
The XLogP value of -6.16 indicates that siroheme is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 349.0 Ų indicates high polarity, suggesting siroheme may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, siroheme has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of siroheme?
The CAS number of siroheme is 52553-42-1.
What is the molecular formula of siroheme?
The molecular formula of siroheme is C42H44FeN4O16.
What is the molecular weight of siroheme?
The molecular weight of siroheme is 916.21014 g/mol.
Where can I buy siroheme?
You can request a quote for siroheme directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for siroheme?
Yes, CoreyChem provides custom synthesis services for siroheme and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.