(N-Methylimidazole)protoheme
TL;DR: (N-Methylimidazole)protoheme (CAS 75994-02-4) is a chemical compound with molecular formula C38H38FeN6O4 and molecular weight 698.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(2+);1-methylimidazole
Also Known As: (N-Methylimidazole)protoheme, 3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(2+);1-methylimidazole, 3-[7,12-bis(ethenyl)-3,8,13,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; iron(2+); 1-methylimidazole, Ferrate(2-), (7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N(21),N(22),N(23),N(24))(1-methyl-1H-imidazole-N(3))-, dihydrogen, (SP-5-13)-
| Molecular Formula | C38H38FeN6O4 |
|---|---|
| Molecular Weight | 698.23 g/mol |
| LogP | 4.43084 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 698.2304 |
| Heavy Atoms | 49 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 75994-02-4 |
|---|---|
| SMILES | [H+].[H+].CC1=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)C)C=C)C)CCC(=O)[O-])CCC(=O)[O-].CN1C=CN=C1.[Fe+2] |
| InChIKey | XUKPQCDEUBPBNI-UHFFFAOYSA-L |
Product Overview
(N-Methylimidazole)protoheme (CAS 75994-02-4), with molecular formula C38H38FeN6O4 and molecular weight 698.23 g/mol. IUPAC: 3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(2+);1-methylimidazole.
Chemical Property Profile of (N-Methylimidazole)protoheme
Property Insights of (N-Methylimidazole)protoheme
The XLogP value of 4.43084 indicates that (N-Methylimidazole)protoheme is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (N-Methylimidazole)protoheme. Following Lipinski's Rule of Five, (N-Methylimidazole)protoheme has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (N-Methylimidazole)protoheme?
The CAS number of (N-Methylimidazole)protoheme is 75994-02-4.
What is the molecular formula of (N-Methylimidazole)protoheme?
The molecular formula of (N-Methylimidazole)protoheme is C38H38FeN6O4.
What is the molecular weight of (N-Methylimidazole)protoheme?
The molecular weight of (N-Methylimidazole)protoheme is 698.23 g/mol.
Where can I buy (N-Methylimidazole)protoheme?
You can request a quote for (N-Methylimidazole)protoheme directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (N-Methylimidazole)protoheme?
Yes, KEHONG BIO provides custom synthesis services for (N-Methylimidazole)protoheme and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.