2-Formyl-4-vinyldeuteroheme IX
TL;DR: 2-Formyl-4-vinyldeuteroheme IX (CAS 14023-16-6) is a chemical compound with molecular formula C33H30FeN4O5 and molecular weight 618.15656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(8E)-18-(2-carboxylatoethyl)-13-ethenyl-3,7,12,17-tetramethyl-8-(oxidomethylidene)porphyrin-21-id-2-yl]propanoate;hydron;iron(2+)
Also Known As: 2-Formyl-4-vinyldeuteroheme IX, Ferrate(2-), (7-ethenyl-12-formyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-N21,N22,N23,N24)-, dihydrogen, (SP-4-2)-, 3-[(8E)-13-ethenyl-3,7,12,17-tetramethyl-8-(oxidomethylidene)-18-(3-oxido-3-oxopropyl)porphyrin-21-id-2-yl]propanoate; hydron; iron(2+), 3-[(8E)-18-(2-carboxylatoethyl)-13-ethenyl-3,7,12,17-tetramethyl-8-(oxidomethylidene)porphyrin-21-id-2-yl]propanoate;hydron;iron(2+), 3-[18-(2-carboxyethyl)-13-ethenyl-8-formyl-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;iron(2+)
Technical Specifications
| Molecular Formula | C33H30FeN4O5 |
| Molecular Weight | 618.15656 g/mol |
| XLogP | 0.43072 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 618.15656 Da |
| Heavy Atoms | 43 |
| Complexity | 1580.0 |
| SMILES | [H+].[H+].CC1=C(C2=CC3=NC(=CC4=NC(=CC\5=NC(=C(/C5=C\[O-])C)C=C1[N-]2)C(=C4C=C)C)C(=C3CCC(=O)[O-])C)CCC(=O)[O-].[Fe+2] |
| InChIKey | DQEQQOZHKXGGJW-UHFFFAOYSA-L |
Chemical Property Profile of 2-Formyl-4-vinyldeuteroheme IX
Property Insights of 2-Formyl-4-vinyldeuteroheme IX
The XLogP value of 0.43072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Formyl-4-vinyldeuteroheme IX. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Formyl-4-vinyldeuteroheme IX. Following Lipinski's Rule of Five, 2-Formyl-4-vinyldeuteroheme IX has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Formyl-4-vinyldeuteroheme IX?
The CAS number of 2-Formyl-4-vinyldeuteroheme IX is 14023-16-6.
What is the molecular formula of 2-Formyl-4-vinyldeuteroheme IX?
The molecular formula of 2-Formyl-4-vinyldeuteroheme IX is C33H30FeN4O5.
What is the molecular weight of 2-Formyl-4-vinyldeuteroheme IX?
The molecular weight of 2-Formyl-4-vinyldeuteroheme IX is 618.15656 g/mol.
Where can I buy 2-Formyl-4-vinyldeuteroheme IX?
You can request a quote for 2-Formyl-4-vinyldeuteroheme IX directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Formyl-4-vinyldeuteroheme IX?
Yes, CoreyChem provides custom synthesis services for 2-Formyl-4-vinyldeuteroheme IX and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.