Ergosinine mixt. with ergosine
TL;DR: Ergosinine mixt. with ergosine (CAS 8052-85-5) is a chemical compound with molecular formula C60H74N10O10 and molecular weight 1094.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aS,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Ergoclavine, Ergoclavin, Ergosinine Mixt. With Ergosine, Ergosine mixt. with ergosinine, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)-, mixt. with (5'-alpha,8-alpha)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione
| Molecular Formula | C60H74N10O10 |
|---|---|
| Molecular Weight | 1094.56 g/mol |
| LogP | 3.5884 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 1094.559 |
| Heavy Atoms | 80 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 8052-85-5 |
|---|---|
| SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O.CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
| InChIKey | LSFUOCCIMVIZMK-UKXVGAOYSA-N |
Product Overview
Ergosinine mixt. with ergosine (CAS 8052-85-5), with molecular formula C60H74N10O10 and molecular weight 1094.56 g/mol. IUPAC: (6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aS,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of Ergosinine mixt. with ergosine
Property Insights of Ergosinine mixt. with ergosine
The XLogP value of 3.5884 indicates that Ergosinine mixt. with ergosine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting Ergosinine mixt. with ergosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ergosinine mixt. with ergosine has 6 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 Ergosinine mixt. with ergosine?
The CAS number of Ergosinine mixt. with ergosine is 8052-85-5.
What is the molecular formula of Ergosinine mixt. with ergosine?
The molecular formula of Ergosinine mixt. with ergosine is C60H74N10O10.
What is the molecular weight of Ergosinine mixt. with ergosine?
The molecular weight of Ergosinine mixt. with ergosine is 1094.56 g/mol.
Where can I buy Ergosinine mixt. with ergosine?
You can request a quote for Ergosinine mixt. with ergosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergosinine mixt. with ergosine?
Yes, KEHONG BIO provides custom synthesis services for Ergosinine mixt. with ergosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.