Ergocorninine
TL;DR: Ergocorninine (CAS 6345-68-2) is a chemical compound with molecular formula C31H39N5O5 and molecular weight 561.30 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)-2-hydroxy-5,8-dioxo-4,7-di(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: Ergocorninine, Ergocornine, KST-1A6963, 118269-EP2275420A1, 118269-EP2280008A2
| Molecular Formula | C31H39N5O5 |
|---|---|
| Molecular Weight | 561.30 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 561.2951 |
| Heavy Atoms | 41 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 6345-68-2 |
|---|---|
| SMILES | CC(C)[C@@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
| InChIKey | UJYGDMFEEDNVBF-XJUOHTAZSA-N |
Product Overview
Ergocorninine (CAS 6345-68-2), with molecular formula C31H39N5O5 and molecular weight 561.30 g/mol. IUPAC: (6aS,9R)-N-[(1S,2S,4R,7R)-2-hydroxy-5,8-dioxo-4,7-di(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 Ergocorninine
Property Insights of Ergocorninine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergocorninine. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergocorninine. Following Lipinski's Rule of Five, Ergocorninine 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 Ergocorninine?
The CAS number of Ergocorninine is 6345-68-2.
What is the molecular formula of Ergocorninine?
The molecular formula of Ergocorninine is C31H39N5O5.
What is the molecular weight of Ergocorninine?
The molecular weight of Ergocorninine is 561.30 g/mol.
Where can I buy Ergocorninine?
You can request a quote for Ergocorninine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergocorninine?
Yes, KEHONG BIO provides custom synthesis services for Ergocorninine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.