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protoheme IX structure
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protoheme IX

TL;DR: protoheme IX (CAS 104414-01-9) is a chemical compound with molecular formula C34H30FeN4O4-2 and molecular weight 614.1616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-[18-(2-carboxylatoethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;iron(2+)

Also Known As: protoheme IX, protoheme, Ferroheme, Reduced hematin, heme b

CAS Number
104414-01-9
Molecular Formula
C34H30FeN4O4-2
Molecular Weight
614.1616 g/mol
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Technical Specifications

Molecular FormulaC34H30FeN4O4-2
Molecular Weight614.1616 g/mol
XLogP4.09034
Topological Polar Surface Area (TPSA)107.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors8
Rotatable Bonds6
Exact Mass614.1616 Da
Heavy Atoms43
Complexity1570.0
SMILESCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)[O-])C)CCC(=O)[O-].[Fe+2]
InChIKeyKABFMIBPWCXCRK-UHFFFAOYSA-J

Product Description

Applications: protoheme IX is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies protoheme IX (CAS 104414-01-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

protoheme IX (CAS 104414-01-9) is a fine chemical with the molecular formula C34H30FeN4O4-2 and a molecular weight of 614.16 g/mol. It is also known as protoheme IX and protoheme.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of protoheme IX

XLogP
4.09034
TPSA (Topological Polar Surface Area)
107.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
8
Rotatable Bonds
6
Heavy Atoms
43
Complexity
1570.0
Exact Mass
614.1616
Monoisotopic Mass
614.1616
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 protoheme IX

The XLogP value of 4.09034 indicates that protoheme IX is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for protoheme IX. Following Lipinski's Rule of Five, protoheme IX has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of protoheme IX?

The CAS number of protoheme IX is 104414-01-9.

What is the molecular formula of protoheme IX?

The molecular formula of protoheme IX is C34H30FeN4O4-2.

What is the molecular weight of protoheme IX?

The molecular weight of protoheme IX is 614.1616 g/mol.

What are the applications of protoheme IX?

protoheme IX is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies protoheme IX (CAS 104414-01-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...

Where can I buy protoheme IX?

You can request a quote for protoheme IX directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for protoheme IX?

Yes, CoreyChem provides custom synthesis services for protoheme IX and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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