1,4,5,8-Tetramethylhemin
TL;DR: 1,4,5,8-Tetramethylhemin (CAS 70697-39-1) is a chemical compound with molecular formula C34H32ClFeN4O4 and molecular weight 651.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[18-(2-carboxylatoethyl)-8,12-bis(ethenyl)-3,7,13,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(3+);chloride
Also Known As: 1,4,5,8-Tetramethylhemin, 3-[18-(2-carboxylatoethyl)-8,12-bis(ethenyl)-3,7,13,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(3+);chloride, Ferrate(2-), chloro(8,12-diethenyl-3,7,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen, (SP-5-13)-, 3-[8,12-bis(ethenyl)-3,7,13,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; iron(3+); chloride
| Molecular Formula | C34H32ClFeN4O4 |
|---|---|
| Molecular Weight | 651.15 g/mol |
| LogP | 1.01474 |
| Topological Polar Surface Area | 134.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 651.1461 |
| Heavy Atoms | 44 |
| Complexity | 1807.6368 |
Chemical Identifiers
| CAS Number | 70697-39-1 |
|---|---|
| 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-].[Cl-].[Fe+3] |
Product Overview
1,4,5,8-Tetramethylhemin (CAS 70697-39-1), with molecular formula C34H32ClFeN4O4 and molecular weight 651.15 g/mol. IUPAC: 3-[18-(2-carboxylatoethyl)-8,12-bis(ethenyl)-3,7,13,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(3+);chloride.
Chemical Property Profile of 1,4,5,8-Tetramethylhemin
Property Insights of 1,4,5,8-Tetramethylhemin
The XLogP value of 1.01474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,5,8-Tetramethylhemin. The TPSA of 134.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,5,8-Tetramethylhemin. Following Lipinski's Rule of Five, 1,4,5,8-Tetramethylhemin has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4,5,8-Tetramethylhemin?
The CAS number of 1,4,5,8-Tetramethylhemin is 70697-39-1.
What is the molecular formula of 1,4,5,8-Tetramethylhemin?
The molecular formula of 1,4,5,8-Tetramethylhemin is C34H32ClFeN4O4.
What is the molecular weight of 1,4,5,8-Tetramethylhemin?
The molecular weight of 1,4,5,8-Tetramethylhemin is 651.15 g/mol.
Where can I buy 1,4,5,8-Tetramethylhemin?
You can request a quote for 1,4,5,8-Tetramethylhemin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5,8-Tetramethylhemin?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,8-Tetramethylhemin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.