N(alpha)-Dimethylneocoprogen
TL;DR: N(alpha)-Dimethylneocoprogen (CAS 117852-95-6) is a chemical compound with molecular formula C31H49FeN6O11 and molecular weight 737.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-5-[3-[5-[3-[acetyl(oxido)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl-oxidoamino]-3-methyl-5-oxopent-3-enyl] 2-(dimethylamino)-5-[[(E)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]pentanoate;iron(3+)
Also Known As: N(alpha)-Dimethylneocoprogen, (5-((3-(5-(3-(Acetylhydroxyamino)propyl)-3,6-dioxo-2-piperazinyl)propyl)hydroxyamino)-3-methyl-5-oxo-3-pentenyl N5-hydroxy-N5-(5-hydroxy-3-methyl-1-oxo-2-pentenyl)-N2,N2-dimethyl-L-ornithinato(3-))iron, [(Z)-5-[3-[5-[3-[acetyl(oxido)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl-oxidoamino]-3-methyl-5-oxopent-3-enyl] 2-(dimethylamino)-5-[[(E)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]pentanoate;iron(3+), 2-Naphthalenecarboxylic acid,4-hydroxy-5,6,8-trimethoxy-,methyl ester, [(Z)-5-[3-[5-[3-[acetyl(oxido)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl-oxidoamino]-3-methyl-5-oxopent-3-enyl] 2-(dimethylamino)-5-[[(E)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]pentanoate,iron(3+)
| Molecular Formula | C31H49FeN6O11 |
|---|---|
| Molecular Weight | 737.28 g/mol |
| LogP | 0.4453 |
| Topological Polar Surface Area | 238.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 737.2809 |
| Heavy Atoms | 49 |
| Complexity | 1182.6577 |
Chemical Identifiers
| CAS Number | 117852-95-6 |
|---|---|
| SMILES | C/C(=C\C(=O)N(CCCC(C(=O)OCC/C(=C\C(=O)N(CCCC1C(=O)NC(C(=O)N1)CCCN(C(=O)C)[O-])[O-])/C)N(C)C)[O-])/CCO.[Fe+3] |
Product Overview
N(alpha)-Dimethylneocoprogen (CAS 117852-95-6), with molecular formula C31H49FeN6O11 and molecular weight 737.28 g/mol. IUPAC: [(Z)-5-[3-[5-[3-[acetyl(oxido)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl-oxidoamino]-3-methyl-5-oxopent-3-enyl] 2-(dimethylamino)-5-[[(E)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]pentanoate;iron(3+).
Chemical Property Profile of N(alpha)-Dimethylneocoprogen
Property Insights of N(alpha)-Dimethylneocoprogen
The XLogP value of 0.4453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(alpha)-Dimethylneocoprogen. The TPSA of 238.08 Ų indicates high polarity, suggesting N(alpha)-Dimethylneocoprogen may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(alpha)-Dimethylneocoprogen has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N(alpha)-Dimethylneocoprogen?
The CAS number of N(alpha)-Dimethylneocoprogen is 117852-95-6.
What is the molecular formula of N(alpha)-Dimethylneocoprogen?
The molecular formula of N(alpha)-Dimethylneocoprogen is C31H49FeN6O11.
What is the molecular weight of N(alpha)-Dimethylneocoprogen?
The molecular weight of N(alpha)-Dimethylneocoprogen is 737.28 g/mol.
Where can I buy N(alpha)-Dimethylneocoprogen?
You can request a quote for N(alpha)-Dimethylneocoprogen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(alpha)-Dimethylneocoprogen?
Yes, KEHONG BIO provides custom synthesis services for N(alpha)-Dimethylneocoprogen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.