Scorpioidine
TL;DR: Scorpioidine (CAS 80405-18-1) is a chemical compound with molecular formula C20H31NO6 and molecular weight 381.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-3-methyl-2-[(1S)-1-[(E)-2-methylbut-2-enoyl]oxyethyl]butanoate
Also Known As: Scorpioidine, [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-3-methyl-2-[(1S)-1-[(E)-2-methylbut-2-enoyl]oxyethyl]butanoate, 2-Butenoic acid, 2-methyl-, (1S,2S)-2-hydroxy-1,3-dimethyl-2-((((1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methoxy)carbonyl)butyl ester, (2E)-, ((7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl (2S)-2-hydroxy-3-methyl-2-((1S)-1-((E)-2-methylbut-2-enoyl)oxyethyl)butanoate, (2S,3S)-3-Hydroxy-3-({[(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methoxy}carbonyl)-4-methylpentan-2-yl (2E)-2-methylbut-2-enoate
| Molecular Formula | C20H31NO6 |
|---|---|
| Molecular Weight | 381.22 g/mol |
| LogP | 1.1898 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.21515 |
| Heavy Atoms | 27 |
| Complexity | 640.3832 |
Chemical Identifiers
| CAS Number | 80405-18-1 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@@H](C)[C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O |
Product Overview
Scorpioidine (CAS 80405-18-1), with molecular formula C20H31NO6 and molecular weight 381.22 g/mol. IUPAC: [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-3-methyl-2-[(1S)-1-[(E)-2-methylbut-2-enoyl]oxyethyl]butanoate.
Chemical Property Profile of Scorpioidine
Property Insights of Scorpioidine
The XLogP value of 1.1898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Scorpioidine. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Scorpioidine. Following Lipinski's Rule of Five, Scorpioidine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Scorpioidine?
The CAS number of Scorpioidine is 80405-18-1.
What is the molecular formula of Scorpioidine?
The molecular formula of Scorpioidine is C20H31NO6.
What is the molecular weight of Scorpioidine?
The molecular weight of Scorpioidine is 381.22 g/mol.
Where can I buy Scorpioidine?
You can request a quote for Scorpioidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scorpioidine?
Yes, KEHONG BIO provides custom synthesis services for Scorpioidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.