Asteltoxin
TL;DR: Asteltoxin (CAS 72061-91-7) is a chemical compound with molecular formula C23H30O7 and molecular weight 418.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one
Also Known As: Asteltoxin, EV-Toxin, (+)-asteltoxin, 6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one, 2H-Pyran-2-one, 6-(6-(hexahydro-3,4-dihydroxy-3a,4-dimethyl-5-ethylfuro(2,3-b)furan-2-yl)-1,3,5-hexatrienyl)-4-methoxy-5-methyl-, (2R-(2-alpha(1E,3E,5E),3-alpha,3a-beta,4-beta,5-beta,6a-beta))-
| Molecular Formula | C23H30O7 |
|---|---|
| Molecular Weight | 418.20 g/mol |
| LogP | 2.73432 |
| Topological Polar Surface Area | 98.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.19916 |
| Heavy Atoms | 30 |
| Complexity | 910.61694 |
Chemical Identifiers
| CAS Number | 72061-91-7 |
|---|---|
| SMILES | CC[C@@H]1[C@]([C@]2([C@H]([C@H](O[C@H]2O1)/C=C/C=C/C=C/C3=C(C(=CC(=O)O3)OC)C)O)C)(C)O |
Product Overview
Asteltoxin (CAS 72061-91-7), with molecular formula C23H30O7 and molecular weight 418.20 g/mol. IUPAC: 6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-4-methoxy-5-methylpyran-2-one.
Chemical Property Profile of Asteltoxin
Property Insights of Asteltoxin
The XLogP value of 2.73432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asteltoxin. The TPSA of 98.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Asteltoxin. Following Lipinski's Rule of Five, Asteltoxin 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 Asteltoxin?
The CAS number of Asteltoxin is 72061-91-7.
What is the molecular formula of Asteltoxin?
The molecular formula of Asteltoxin is C23H30O7.
What is the molecular weight of Asteltoxin?
The molecular weight of Asteltoxin is 418.20 g/mol.
Where can I buy Asteltoxin?
You can request a quote for Asteltoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asteltoxin?
Yes, KEHONG BIO provides custom synthesis services for Asteltoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.