Asperumine
TL;DR: Asperumine (CAS 78513-20-9) is a chemical compound with molecular formula C18H25NO4 and molecular weight 319.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-2-methylbut-2-enoate
Also Known As: Asperumine, Heliotridine, 7,9-ditiglate, 7,9-Ditigloylheliotridine, [(7S,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-2-methylbut-2-enoate, (1S,7aR)-7-({[(2E)-2-Methylbut-2-enoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2E)-2-methylbut-2-enoate
| Molecular Formula | C18H25NO4 |
|---|---|
| Molecular Weight | 319.18 g/mol |
| LogP | 2.3881 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.17834 |
| Heavy Atoms | 23 |
| Complexity | 573.5707 |
Chemical Identifiers
| CAS Number | 78513-20-9 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C/C)/C |
Product Overview
Asperumine (CAS 78513-20-9), with molecular formula C18H25NO4 and molecular weight 319.18 g/mol. IUPAC: [(7S,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (E)-2-methylbut-2-enoate.
Chemical Property Profile of Asperumine
Property Insights of Asperumine
The XLogP value of 2.3881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asperumine. With a topological polar surface area (TPSA) of 55.84 Ų, Asperumine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Asperumine has 0 hydrogen bond donor(s) and 5 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 Asperumine?
The CAS number of Asperumine is 78513-20-9.
What is the molecular formula of Asperumine?
The molecular formula of Asperumine is C18H25NO4.
What is the molecular weight of Asperumine?
The molecular weight of Asperumine is 319.18 g/mol.
Where can I buy Asperumine?
You can request a quote for Asperumine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asperumine?
Yes, KEHONG BIO provides custom synthesis services for Asperumine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.