N(alpha)-Dimethylisoneocoprogen I
TL;DR: N(alpha)-Dimethylisoneocoprogen I (CAS 117852-96-7) is a chemical compound with molecular formula C31H49FeN6O11 and molecular weight 737.2809 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(Z)-5-[3-[5-[3-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]propyl]-3,6-dioxopiperazin-2-yl]propyl-oxidoamino]-3-methyl-5-oxopent-3-enyl] 5-[acetyl(oxido)amino]-2-(dimethylamino)pentanoate;iron(3+)
Also Known As: Dminc-I, N(alpha)-Dimethylisoneocoprogen I, [(Z)-5-[3-[5-[3-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]propyl]-3,6-dioxopiperazin-2-yl]propyl-oxidoamino]-3-methyl-5-oxopent-3-enyl] 5-[acetyl(oxido)amino]-2-(dimethylamino)pentanoate;iron(3+), Iron, (5-(hydroxy(3-(5-(3-(hydroxy(5-hydroxy-3-methyl-1-oxo-2-pentenyl)amino)propyl)-3,6-dioxo-2-piperazinyl)propyl)amino)-3-methyl-5-oxo-3-pentenyl N5-acetyl-N5-hydroxy-N2,N2-dimethyl-L-ornithinato(3-))-, [(Z)-5-[3-[5-[3-[[(Z)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]propyl]-3,6-dioxopiperazin-2-yl]propyl-oxidoamino]-3-methyl-5-oxopent-3-enyl] 5-[acetyl(oxido)amino]-2-(dimethylamino)pentanoate,iron(3+)
Technical Specifications
| Molecular Formula | C31H49FeN6O11 |
| Molecular Weight | 737.2809 g/mol |
| XLogP | 0.4453 |
| Topological Polar Surface Area (TPSA) | 238.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 737.2809 Da |
| Heavy Atoms | 49 |
| Complexity | 1180.0 |
| SMILES | C/C(=C/C(=O)N(CCCC1C(=O)NC(C(=O)N1)CCCN(C(=O)/C=C(/C)\CCOC(=O)C(CCCN(C(=O)C)[O-])N(C)C)[O-])[O-])/CCO.[Fe+3] |
| InChIKey | BIZDNKJWCYIABN-JDVCJPALSA-N |
Chemical Property Profile of N(alpha)-Dimethylisoneocoprogen I
Property Insights of N(alpha)-Dimethylisoneocoprogen I
The XLogP value of 0.4453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(alpha)-Dimethylisoneocoprogen I. The TPSA of 238.0 Ų indicates high polarity, suggesting N(alpha)-Dimethylisoneocoprogen I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(alpha)-Dimethylisoneocoprogen I has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N(alpha)-Dimethylisoneocoprogen I?
The CAS number of N(alpha)-Dimethylisoneocoprogen I is 117852-96-7.
What is the molecular formula of N(alpha)-Dimethylisoneocoprogen I?
The molecular formula of N(alpha)-Dimethylisoneocoprogen I is C31H49FeN6O11.
What is the molecular weight of N(alpha)-Dimethylisoneocoprogen I?
The molecular weight of N(alpha)-Dimethylisoneocoprogen I is 737.2809 g/mol.
Where can I buy N(alpha)-Dimethylisoneocoprogen I?
You can request a quote for N(alpha)-Dimethylisoneocoprogen I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N(alpha)-Dimethylisoneocoprogen I?
Yes, CoreyChem provides custom synthesis services for N(alpha)-Dimethylisoneocoprogen I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.