麦角柯宁碱
TL;DR: 麦角柯宁碱 (CAS 564-36-3) 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.
麦角柯宁碱
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
| 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 | 564-36-3 |
|---|---|
| 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 Overview
麦角柯宁碱 (CAS 564-36-3), with molecular formula C31H39N5O5 and molecular weight 561.30 g/mol. IUPAC: 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.
Chemical Property Profile of 麦角柯宁碱
Property Insights of 麦角柯宁碱
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 麦角柯宁碱. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 麦角柯宁碱. 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
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 561.30 g/mol.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione?
Yes, KEHONG BIO 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.