Hematohemin IX
TL;DR: Hematohemin IX (CAS 15632-20-9) is a chemical compound with molecular formula C34H36ClFeN4O6 and molecular weight 687.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(3+);chloride
Also Known As: Hematohemin IX, Ferrate(2-), (7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)chloro-, dihydrogen, (SP-5-13)-, 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride, 3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(3+);chloride, 3-[8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; iron(3+); chloride
| Molecular Formula | C34H36ClFeN4O6 |
|---|---|
| Molecular Weight | 687.17 g/mol |
| LogP | -0.59566 |
| Topological Polar Surface Area | 174.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 687.1673 |
| Heavy Atoms | 46 |
| Complexity | 1948.8715 |
Chemical Identifiers
| CAS Number | 15632-20-9 |
|---|---|
| SMILES | [H+].[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C(C)O)C)C(C)O)C)CCC(=O)[O-])CCC(=O)[O-].[Cl-].[Fe+3] |
Product Overview
Hematohemin IX (CAS 15632-20-9), with molecular formula C34H36ClFeN4O6 and molecular weight 687.17 g/mol. IUPAC: 3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(3+);chloride.
Chemical Property Profile of Hematohemin IX
Property Insights of Hematohemin IX
The XLogP value of -0.59566 indicates that Hematohemin IX is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 174.7 Ų indicates high polarity, suggesting Hematohemin IX may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hematohemin IX has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hematohemin IX?
The CAS number of Hematohemin IX is 15632-20-9.
What is the molecular formula of Hematohemin IX?
The molecular formula of Hematohemin IX is C34H36ClFeN4O6.
What is the molecular weight of Hematohemin IX?
The molecular weight of Hematohemin IX is 687.17 g/mol.
Where can I buy Hematohemin IX?
You can request a quote for Hematohemin IX directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hematohemin IX?
Yes, KEHONG BIO provides custom synthesis services for Hematohemin IX and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.