Ergostinine
TL;DR: Ergostinine (CAS 3268-95-9) is a chemical compound with molecular formula C34H37N5O5 and molecular weight 595.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR)-N-[(1R,2S,4R,7S)-4-ethyl-2-hydroxy-7-methyl-5,8-dioxo-7-phenyl-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: Ergostinine, Ergotaman-3',6',8-trione, 2'-ethyl-12'-hydroxy-5'-(phenylmethyl)-, (5'alpha,8alpha)-, (6aR)-N-[(1R,2S,4R,7S)-4-ethyl-2-hydroxy-7-methyl-5,8-dioxo-7-phenyl-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, N-(2-Ethyl-10b-hydroxy-5-methyl-3,6-dioxo-5-phenyloctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-6-methyl-9,10-didehydroergoline-8-carboximidic acid, N-[(2R,5S,10aR,10bS)-2-Ethyl-10b-hydroxy-5-methyl-3,6-dioxo-5-phenyloctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methyl-9,10-didehydroergoline-8-carboximidic acid
| Molecular Formula | C34H37N5O5 |
|---|---|
| Molecular Weight | 595.28 g/mol |
| LogP | 2.685 |
| Topological Polar Surface Area | 118.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 595.2795 |
| Heavy Atoms | 44 |
| Complexity | 1752.7626 |
Chemical Identifiers
| CAS Number | 3268-95-9 |
|---|---|
| SMILES | CC[C@@]1(C(=O)N2[C@@](C(=O)N3CCC[C@@H]3[C@@]2(O1)O)(C)C4=CC=CC=C4)NC(=O)C5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C |
Product Overview
Ergostinine (CAS 3268-95-9), with molecular formula C34H37N5O5 and molecular weight 595.28 g/mol. IUPAC: (6aR)-N-[(1R,2S,4R,7S)-4-ethyl-2-hydroxy-7-methyl-5,8-dioxo-7-phenyl-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 Ergostinine
Property Insights of Ergostinine
The XLogP value of 2.685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergostinine. The TPSA of 118.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergostinine. Following Lipinski's Rule of Five, Ergostinine 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 Ergostinine?
The CAS number of Ergostinine is 3268-95-9.
What is the molecular formula of Ergostinine?
The molecular formula of Ergostinine is C34H37N5O5.
What is the molecular weight of Ergostinine?
The molecular weight of Ergostinine is 595.28 g/mol.
Where can I buy Ergostinine?
You can request a quote for Ergostinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergostinine?
Yes, KEHONG BIO provides custom synthesis services for Ergostinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.