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3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride structure
Fine Chemical

3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride

TL;DR: 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride (CAS 15242-39-4) is a chemical compound with molecular formula C34H36ClFeN4O6 and molecular weight 687.1673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride

Also Known As: 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride, NSC 35997

CAS Number
15242-39-4
Molecular Formula
C34H36ClFeN4O6
Molecular Weight
687.1673 g/mol
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Technical Specifications

Molecular FormulaC34H36ClFeN4O6
Molecular Weight687.1673 g/mol
XLogP1.84874
Topological Polar Surface Area (TPSA)143.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors11
Rotatable Bonds8
Exact Mass687.1673 Da
Heavy Atoms46
Complexity1020.0
SMILESCC1=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]
InChIKeyUQHUJMUVNUXJFL-UHFFFAOYSA-K

Chemical Property Profile of 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride

XLogP
1.84874
TPSA (Topological Polar Surface Area)
143.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
11
Rotatable Bonds
8
Heavy Atoms
46
Complexity
1020.0
Exact Mass
687.1673
Monoisotopic Mass
687.1673
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride

The XLogP value of 1.84874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride. The TPSA of 143.0 Ų indicates high polarity, suggesting 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride?

The CAS number of 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride is 15242-39-4.

What is the molecular formula of 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride?

The molecular formula of 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride is C34H36ClFeN4O6.

What is the molecular weight of 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride?

The molecular weight of 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride is 687.1673 g/mol.

Where can I buy 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride?

You can request a quote for 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride?

Yes, CoreyChem provides custom synthesis services for 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid; iron(3+); chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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