Dimethylhemin
TL;DR: Dimethylhemin (CAS 15741-03-4) is a chemical compound with molecular formula C36H36ClFeN4O4 and molecular weight 679.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
iron(3+);methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;chloride
Also Known As: Dimethylhemin, Hemin dimethyl ester, iron(3+);methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;chloride, Iron, chloro(dimethyl 7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(2-)-N21,N22,N23,N24)-, (SP-5-13)-, (SP-5-13)-Chloro[dimethyl 7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(2-)-kappaN21,kappaN22,kappaN23,kappaN24]iron
| Molecular Formula | C36H36ClFeN4O4 |
|---|---|
| Molecular Weight | 679.18 g/mol |
| LogP | 3.63594 |
| Topological Polar Surface Area | 106.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 679.1774 |
| Heavy Atoms | 46 |
| Complexity | 1965.5415 |
Chemical Identifiers
| CAS Number | 15741-03-4 |
|---|---|
| SMILES | 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)OC)CCC(=O)OC.[Cl-].[Fe+3] |
Product Overview
Dimethylhemin (CAS 15741-03-4), with molecular formula C36H36ClFeN4O4 and molecular weight 679.18 g/mol. IUPAC: iron(3+);methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;chloride.
Chemical Property Profile of Dimethylhemin
Property Insights of Dimethylhemin
The XLogP value of 3.63594 indicates that Dimethylhemin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethylhemin. Following Lipinski's Rule of Five, Dimethylhemin 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 Dimethylhemin?
The CAS number of Dimethylhemin is 15741-03-4.
What is the molecular formula of Dimethylhemin?
The molecular formula of Dimethylhemin is C36H36ClFeN4O4.
What is the molecular weight of Dimethylhemin?
The molecular weight of Dimethylhemin is 679.18 g/mol.
Where can I buy Dimethylhemin?
You can request a quote for Dimethylhemin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylhemin?
Yes, KEHONG BIO provides custom synthesis services for Dimethylhemin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.