Ergosinine
TL;DR: Ergosinine (CAS 596-88-3) is a chemical compound with molecular formula C30H37N5O5 and molecular weight 547.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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: Ergosinine, KST-1A6521, (5, A,5', A)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-3',6',18-trioxoergotaman
| Molecular Formula | C30H37N5O5 |
|---|---|
| Molecular Weight | 547.28 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 547.2795 |
| Heavy Atoms | 40 |
| Complexity | 1140.0 |
Chemical Identifiers
| CAS Number | 596-88-3 |
|---|---|
| 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 |
| InChIKey | NESVMZOPWPCFAU-UGTZLQJCSA-N |
Product Overview
Ergosinine (CAS 596-88-3), with molecular formula C30H37N5O5 and molecular weight 547.28 g/mol. IUPAC: (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
Property Insights of Ergosinine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergosinine. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergosinine. Following Lipinski's Rule of Five, Ergosinine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ergosinine?
The CAS number of Ergosinine is 596-88-3.
What is the molecular formula of Ergosinine?
The molecular formula of Ergosinine is C30H37N5O5.
What is the molecular weight of Ergosinine?
The molecular weight of Ergosinine is 547.28 g/mol.
Where can I buy Ergosinine?
You can request a quote for Ergosinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergosinine?
Yes, KEHONG BIO provides custom synthesis services for Ergosinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.