protoheme IX
TL;DR: protoheme IX (CAS 104414-01-9) is a chemical compound with molecular formula C34H30FeN4O4-2 and molecular weight 614.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C34H30FeN4O4-2 |
|---|---|
| Molecular Weight | 614.16 g/mol |
| LogP | 4.09034 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 614.1616 |
| Heavy Atoms | 43 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 104414-01-9 |
|---|---|
| SMILES | CC1=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] |
| InChIKey | KABFMIBPWCXCRK-UHFFFAOYSA-J |
Product Overview
protoheme IX (CAS 104414-01-9), with molecular formula C34H30FeN4O4-2 and molecular weight 614.16 g/mol. IUPAC: 3-[18-(2-carboxylatoethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;iron(2+).
Chemical Property Profile of protoheme IX
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
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 614.16 g/mol.
Where can I buy protoheme IX?
You can request a quote for protoheme IX directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for protoheme IX?
Yes, KEHONG BIO provides custom synthesis services for protoheme IX and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.