Deuteroferriheme
TL;DR: Deuteroferriheme (CAS 21007-21-6) is a chemical compound with molecular formula C30H28ClFeN4O4 and molecular weight 599.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[18-(2-carboxylatoethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(3+);chloride
Also Known As: Deuteroferriheme, Deutero-hemin, Deuterohemin, Hypochlorohemoglobin, Fe(III) Deuteroporphyrin IX chloride
| Molecular Formula | C30H28ClFeN4O4 |
|---|---|
| Molecular Weight | 599.11 g/mol |
| LogP | -0.09766 |
| Topological Polar Surface Area | 134.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 599.11487 |
| Heavy Atoms | 40 |
| Complexity | 1744.5426 |
Chemical Identifiers
| CAS Number | 21007-21-6 |
|---|---|
| SMILES | [H+].[H+].CC1=CC2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=CC5=NC(=CC1=N2)C=C5C)[N-]4)C)CCC(=O)[O-])CCC(=O)[O-])C.[Cl-].[Fe+3] |
Product Overview
Deuteroferriheme (CAS 21007-21-6), with molecular formula C30H28ClFeN4O4 and molecular weight 599.11 g/mol. IUPAC: 3-[18-(2-carboxylatoethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(3+);chloride.
Chemical Property Profile of Deuteroferriheme
Property Insights of Deuteroferriheme
The XLogP value of -0.09766 indicates that Deuteroferriheme is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Deuteroferriheme. Following Lipinski's Rule of Five, Deuteroferriheme has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deuteroferriheme?
The CAS number of Deuteroferriheme is 21007-21-6.
What is the molecular formula of Deuteroferriheme?
The molecular formula of Deuteroferriheme is C30H28ClFeN4O4.
What is the molecular weight of Deuteroferriheme?
The molecular weight of Deuteroferriheme is 599.11 g/mol.
Where can I buy Deuteroferriheme?
You can request a quote for Deuteroferriheme directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deuteroferriheme?
Yes, KEHONG BIO provides custom synthesis services for Deuteroferriheme and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.