(8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione
TL;DR: (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione (CAS 564-36-3) is a chemical compound with molecular formula C31H39N5O5 and molecular weight 561.2951 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[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: Ergocornine, Ergocornin, Ergocorninine, Isoergocornine, Ergocorninin
Technical Specifications
| Molecular Formula | C31H39N5O5 |
| Molecular Weight | 561.2951 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 561.2951 Da |
| Heavy Atoms | 41 |
| Complexity | 1170.0 |
| SMILES | CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O |
| InChIKey | UJYGDMFEEDNVBF-UHFFFAOYSA-N |
Product Description
Applications: (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione (CAS 564-36-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
(8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione (CAS 564-36-3) is a fine chemical with the molecular formula C31H39N5O5 and a molecular weight of 561.3 g/mol. It is also known as Ergocornine and Ergocornin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione
Property Insights of (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione. Following Lipinski's Rule of Five, (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione?
The CAS number of (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione is 564-36-3.
What is the molecular formula of (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione?
The molecular formula of (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione is C31H39N5O5.
What is the molecular weight of (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione?
The molecular weight of (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione is 561.2951 g/mol.
What are the applications of (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione?
(8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione (CAS 564-36-3)...
Where can I buy (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione?
You can request a quote for (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione?
Yes, CoreyChem provides custom synthesis services for (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.