7-Acetylscorpioidine
TL;DR: 7-Acetylscorpioidine (CAS 80405-17-0) is a chemical compound with molecular formula C22H33NO7 and molecular weight 423.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-3-methyl-2-[1-[(E)-2-methylbut-2-enoyl]oxyethyl]butanoate
Also Known As: 7-acetylscorpioidine, [(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-3-methyl-2-[1-[(E)-2-methylbut-2-enoyl]oxyethyl]butanoate, 2-Butenoic acid, 2-methyl-, 2-(((1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methoxy)carbonyl)-2-hydroxy-1,3-dimethylbutyl ester, (1R-(1alpha,7(1(E),2S*),7abeta))-, ((7R,8R)-7-acetyloxy-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, [(7R,8R)-7-acetyloxy-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
| Molecular Formula | C22H33NO7 |
|---|---|
| Molecular Weight | 423.23 g/mol |
| LogP | 1.7606 |
| Topological Polar Surface Area | 102.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.2257 |
| Heavy Atoms | 30 |
| Complexity | 741.76807 |
Chemical Identifiers
| CAS Number | 80405-17-0 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OC(C)[C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)O |
Product Overview
7-Acetylscorpioidine (CAS 80405-17-0), with molecular formula C22H33NO7 and molecular weight 423.23 g/mol. IUPAC: [(7R,8R)-7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-3-methyl-2-[1-[(E)-2-methylbut-2-enoyl]oxyethyl]butanoate.
Chemical Property Profile of 7-Acetylscorpioidine
Property Insights of 7-Acetylscorpioidine
The XLogP value of 1.7606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Acetylscorpioidine. The TPSA of 102.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Acetylscorpioidine. Following Lipinski's Rule of Five, 7-Acetylscorpioidine has 1 hydrogen bond donor(s) and 8 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 7-Acetylscorpioidine?
The CAS number of 7-Acetylscorpioidine is 80405-17-0.
What is the molecular formula of 7-Acetylscorpioidine?
The molecular formula of 7-Acetylscorpioidine is C22H33NO7.
What is the molecular weight of 7-Acetylscorpioidine?
The molecular weight of 7-Acetylscorpioidine is 423.23 g/mol.
Where can I buy 7-Acetylscorpioidine?
You can request a quote for 7-Acetylscorpioidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Acetylscorpioidine?
Yes, KEHONG BIO provides custom synthesis services for 7-Acetylscorpioidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.