Lophotoxin
TL;DR: Lophotoxin (CAS 78697-56-0) is a chemical compound with molecular formula C22H24O8 and molecular weight 416.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate
Also Known As: Lophotoxin, LOPHOTOXIN [MI], 11,16,18,19-Tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-7-carboxaldehyde, 2-(acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-, (1R,2S,4S,10R,12R,14R,15R)-, 11,16,18,19-Tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-7-carboxaldehyde, 2-(acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-, (1R-(1R*,2S*,4S*,10R*,12R*,14R*,15R*))-, [(1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate
| Molecular Formula | C22H24O8 |
|---|---|
| Molecular Weight | 416.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.14713 |
| Heavy Atoms | 30 |
| Complexity | 809.0 |
Chemical Identifiers
| CAS Number | 78697-56-0 |
|---|---|
| SMILES | CC(=C)[C@H]1C[C@@H]([C@]23[C@H](O2)[C@@H](C[C@@]4([C@@H](O4)C5=CC(=C(C1)O5)C=O)C)OC3=O)OC(=O)C |
| InChIKey | KGRIGHVGXOOCOY-ALYDTWDZSA-N |
Product Overview
Lophotoxin (CAS 78697-56-0), with molecular formula C22H24O8 and molecular weight 416.15 g/mol. IUPAC: [(1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate.
Chemical Property Profile of Lophotoxin
Property Insights of Lophotoxin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lophotoxin. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Lophotoxin. Following Lipinski's Rule of Five, Lophotoxin has 0 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 Lophotoxin?
The CAS number of Lophotoxin is 78697-56-0.
What is the molecular formula of Lophotoxin?
The molecular formula of Lophotoxin is C22H24O8.
What is the molecular weight of Lophotoxin?
The molecular weight of Lophotoxin is 416.15 g/mol.
Where can I buy Lophotoxin?
You can request a quote for Lophotoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lophotoxin?
Yes, KEHONG BIO provides custom synthesis services for Lophotoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.