2-Vinyl-4-isopropyldeuteroheme
TL;DR: 2-Vinyl-4-isopropyldeuteroheme (CAS 105236-15-5) is a chemical compound with molecular formula C35H36FeN4O4 and molecular weight 632.2086 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[18-(2-carboxylatoethyl)-8-ethenyl-3,7,12,17-tetramethyl-13-propan-2-ylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(2+)
Also Known As: 2-Vinyl-4-isopropyldeuteroheme, 3-[18-(2-carboxylatoethyl)-8-ethenyl-3,7,12,17-tetramethyl-13-propan-2-ylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(2+), 3-[8-ethenyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)-13-propan-2-ylporphyrin-21,24-diid-2-yl]propanoate; hydron; iron(2+)
Technical Specifications
| Molecular Formula | C35H36FeN4O4 |
| Molecular Weight | 632.2086 g/mol |
| XLogP | 4.48074 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 632.2086 Da |
| Heavy Atoms | 44 |
| Complexity | 995.0 |
| 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)C)CCC(=O)[O-])CCC(=O)[O-].[Fe+2] |
| InChIKey | BPOAJEAUIKJCJY-UHFFFAOYSA-L |
Chemical Property Profile of 2-Vinyl-4-isopropyldeuteroheme
Property Insights of 2-Vinyl-4-isopropyldeuteroheme
The XLogP value of 4.48074 indicates that 2-Vinyl-4-isopropyldeuteroheme is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Vinyl-4-isopropyldeuteroheme. Following Lipinski's Rule of Five, 2-Vinyl-4-isopropyldeuteroheme has 2 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 2-Vinyl-4-isopropyldeuteroheme?
The CAS number of 2-Vinyl-4-isopropyldeuteroheme is 105236-15-5.
What is the molecular formula of 2-Vinyl-4-isopropyldeuteroheme?
The molecular formula of 2-Vinyl-4-isopropyldeuteroheme is C35H36FeN4O4.
What is the molecular weight of 2-Vinyl-4-isopropyldeuteroheme?
The molecular weight of 2-Vinyl-4-isopropyldeuteroheme is 632.2086 g/mol.
Where can I buy 2-Vinyl-4-isopropyldeuteroheme?
You can request a quote for 2-Vinyl-4-isopropyldeuteroheme directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Vinyl-4-isopropyldeuteroheme?
Yes, CoreyChem provides custom synthesis services for 2-Vinyl-4-isopropyldeuteroheme and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.