Hematoheme
TL;DR: Hematoheme (CAS 19584-91-9) is a chemical compound with molecular formula C34H36FeN4O6 and molecular weight 652.20 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(2+)
Also Known As: Hematoheme, 3-[18-(2-carboxyethyl)-7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+), 3-[18-(2-carboxylatoethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(2+), 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(2+), Ferrate(2-), (7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen, (SP-4-2)-
| Molecular Formula | C34H36FeN4O6 |
|---|---|
| Molecular Weight | 652.20 g/mol |
| LogP | 2.40034 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 652.1984 |
| Heavy Atoms | 45 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 19584-91-9 |
|---|---|
| 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-].[Fe+2] |
| InChIKey | SKVLGUBZZNOQIG-UHFFFAOYSA-L |
Product Overview
Hematoheme (CAS 19584-91-9), with molecular formula C34H36FeN4O6 and molecular weight 652.20 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(2+).
Chemical Property Profile of Hematoheme
Property Insights of Hematoheme
The XLogP value of 2.40034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hematoheme. The TPSA of 149.0 Ų indicates high polarity, suggesting Hematoheme may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hematoheme has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hematoheme?
The CAS number of Hematoheme is 19584-91-9.
What is the molecular formula of Hematoheme?
The molecular formula of Hematoheme is C34H36FeN4O6.
What is the molecular weight of Hematoheme?
The molecular weight of Hematoheme is 652.20 g/mol.
Where can I buy Hematoheme?
You can request a quote for Hematoheme directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hematoheme?
Yes, KEHONG BIO provides custom synthesis services for Hematoheme and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.