Ergoninin
TL;DR: Ergoninin (CAS 34896-18-9) 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,7R)-4-ethyl-2-hydroxy-5,8-dioxo-7-propan-2-yl-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: Ergoninin, Ergoninine, KST-1A4066, (5, A,5'
| Molecular Formula | C30H37N5O5 |
|---|---|
| Molecular Weight | 547.28 g/mol |
| LogP | 1.9 |
| 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 | 34896-18-9 |
|---|---|
| SMILES | CC[C@@]1(C(=O)N2[C@@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)C(C)C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C |
| InChIKey | XWTYUTWHTOOWSS-FPNLSDLLSA-N |
Product Overview
Ergoninin (CAS 34896-18-9), with molecular formula C30H37N5O5 and molecular weight 547.28 g/mol. IUPAC: (6aS,9R)-N-[(1S,2S,4R,7R)-4-ethyl-2-hydroxy-5,8-dioxo-7-propan-2-yl-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 Ergoninin
Property Insights of Ergoninin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergoninin. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergoninin. Following Lipinski's Rule of Five, Ergoninin 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 Ergoninin?
The CAS number of Ergoninin is 34896-18-9.
What is the molecular formula of Ergoninin?
The molecular formula of Ergoninin is C30H37N5O5.
What is the molecular weight of Ergoninin?
The molecular weight of Ergoninin is 547.28 g/mol.
Where can I buy Ergoninin?
You can request a quote for Ergoninin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergoninin?
Yes, KEHONG BIO provides custom synthesis services for Ergoninin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.