Triornicin
TL;DR: Triornicin (CAS 77165-75-4) is a chemical compound with molecular formula C31H50N6O12 and molecular weight 698.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] (2S)-2-acetamido-5-[acetyl(hydroxy)amino]pentanoate
Also Known As: Triornicin, [(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] (2S)-2-acetamido-5-[acetyl(hydroxy)amino]pentanoate, L-Ornithine, N2,N5-diacetyl-N5-hydroxy-, 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 ester, (2S-(2alpha(E),5alpha(E)))-, (3E)-4-({3-[(2S,5S)-5-{3-[(2E)-N,5-DIHYDROXY-3-METHYLPENT-2-ENAMIDO]PROPYL}-3,6-DIOXOPIPERAZIN-2-YL]PROPYL}(HYDROXY)CARBAMOYL)-3-METHYLBUT-3-EN-1-YL (2S)-2-ACETAMIDO-5-(N-HYDROXYACETAMIDO)PENTANOATE, [(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] (2S)-2-acetamido-5-(acetyl-hydroxyamino)pentanoate
| Molecular Formula | C31H50N6O12 |
|---|---|
| Molecular Weight | 698.35 g/mol |
| LogP | -0.3035 |
| Topological Polar Surface Area | 255.45 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 698.3487 |
| Heavy Atoms | 49 |
| Complexity | 1239.2949 |
Chemical Identifiers
| CAS Number | 77165-75-4 |
|---|---|
| SMILES | C/C(=C\C(=O)N(CCC[C@H]1C(=O)N[C@H](C(=O)N1)CCCN(C(=O)/C=C(\C)/CCOC(=O)[C@H](CCCN(C(=O)C)O)NC(=O)C)O)O)/CCO |
Product Overview
Triornicin (CAS 77165-75-4), with molecular formula C31H50N6O12 and molecular weight 698.35 g/mol. IUPAC: [(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] (2S)-2-acetamido-5-[acetyl(hydroxy)amino]pentanoate.
Chemical Property Profile of Triornicin
Property Insights of Triornicin
The XLogP value of -0.3035 indicates that Triornicin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 255.45 Ų indicates high polarity, suggesting Triornicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Triornicin has 7 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 Triornicin?
The CAS number of Triornicin is 77165-75-4.
What is the molecular formula of Triornicin?
The molecular formula of Triornicin is C31H50N6O12.
What is the molecular weight of Triornicin?
The molecular weight of Triornicin is 698.35 g/mol.
Where can I buy Triornicin?
You can request a quote for Triornicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triornicin?
Yes, KEHONG BIO provides custom synthesis services for Triornicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.