N(alpha)-dimethylcoprogen
TL;DR: N(alpha)-dimethylcoprogen (CAS 117892-97-4) is a chemical compound with molecular formula C35H55FeN6O12 and molecular weight 807.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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] 2-(dimethylamino)-5-[[(E)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]pentanoate;iron(3+)
Also Known As: N(alpha)-Dimethylcoprogen, 3-(AMINOMETHYL)INDAZOLE HYDROCHLORIDE, (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-hydroxy-N5-(5-hydroxy-3-methyl-1-oxo-2-pentenyl)-N2,N2-dimethyl-L-ornithionato(3-))iron, [(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] 2-(dimethylamino)-5-[[(E)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]pentanoate;iron(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] 2-(dimethylamino)-5-[[(E)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]pentanoate,iron(3+)
| Molecular Formula | C35H55FeN6O12 |
|---|---|
| Molecular Weight | 807.32 g/mol |
| LogP | 0.7541 |
| Topological Polar Surface Area | 258.31 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 24 |
| Exact Mass | 807.32275 |
| Heavy Atoms | 54 |
| Complexity | 1341.3223 |
Chemical Identifiers
| CAS Number | 117892-97-4 |
|---|---|
| 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=C(\C)/CCO)[O-])N(C)C)[O-])[O-])/CCO.[Fe+3] |
Product Overview
N(alpha)-dimethylcoprogen (CAS 117892-97-4), with molecular formula C35H55FeN6O12 and molecular weight 807.32 g/mol. IUPAC: [(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] 2-(dimethylamino)-5-[[(E)-5-hydroxy-3-methylpent-2-enoyl]-oxidoamino]pentanoate;iron(3+).
Chemical Property Profile of N(alpha)-dimethylcoprogen
Property Insights of N(alpha)-dimethylcoprogen
The XLogP value of 0.7541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(alpha)-dimethylcoprogen. The TPSA of 258.31 Ų indicates high polarity, suggesting N(alpha)-dimethylcoprogen may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(alpha)-dimethylcoprogen has 4 hydrogen bond donor(s) and 13 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)-dimethylcoprogen?
The CAS number of N(alpha)-dimethylcoprogen is 117892-97-4.
What is the molecular formula of N(alpha)-dimethylcoprogen?
The molecular formula of N(alpha)-dimethylcoprogen is C35H55FeN6O12.
What is the molecular weight of N(alpha)-dimethylcoprogen?
The molecular weight of N(alpha)-dimethylcoprogen is 807.32 g/mol.
Where can I buy N(alpha)-dimethylcoprogen?
You can request a quote for N(alpha)-dimethylcoprogen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(alpha)-dimethylcoprogen?
Yes, KEHONG BIO provides custom synthesis services for N(alpha)-dimethylcoprogen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.