Deuteroheme
TL;DR: Deuteroheme (CAS 65238-89-3) is a chemical compound with molecular formula C30H28FeN4O4 and molecular weight 564.15 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(2+)
Also Known As: Deuteroheme, Fe(III)-Deuteroporphyrin, Iron(III)-deuteroporphyrin, Iron(III)-deuteroporphyrin IX, 3-[18-(2-carboxyethyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)
| Molecular Formula | C30H28FeN4O4 |
|---|---|
| Molecular Weight | 564.15 g/mol |
| LogP | 2.89834 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 564.146 |
| Heavy Atoms | 39 |
| Complexity | 845.0 |
Chemical Identifiers
| CAS Number | 65238-89-3 |
|---|---|
| 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.[Fe+2] |
| InChIKey | QQYZTXBVPVYDJC-UHFFFAOYSA-L |
Product Overview
Deuteroheme (CAS 65238-89-3), with molecular formula C30H28FeN4O4 and molecular weight 564.15 g/mol. IUPAC: 3-[18-(2-carboxylatoethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(2+).
Chemical Property Profile of Deuteroheme
Property Insights of Deuteroheme
The XLogP value of 2.89834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deuteroheme. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Deuteroheme. Following Lipinski's Rule of Five, Deuteroheme 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 Deuteroheme?
The CAS number of Deuteroheme is 65238-89-3.
What is the molecular formula of Deuteroheme?
The molecular formula of Deuteroheme is C30H28FeN4O4.
What is the molecular weight of Deuteroheme?
The molecular weight of Deuteroheme is 564.15 g/mol.
Where can I buy Deuteroheme?
You can request a quote for Deuteroheme directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deuteroheme?
Yes, KEHONG BIO provides custom synthesis services for Deuteroheme and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.