Isochapliatrin
TL;DR: Isochapliatrin (CAS 57800-57-4) is a chemical compound with molecular formula C24H32O10 and molecular weight 480.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[12-acetyloxy-13-(hydroxymethyl)-9-methyl-5-methylidene-4-oxo-3,14-dioxatricyclo[7.4.1.02,6]tetradecan-7-yl] 2-(acetyloxymethyl)but-2-enoate
Also Known As: Isochapliatrin
| Molecular Formula | C24H32O10 |
|---|---|
| Molecular Weight | 480.20 g/mol |
| LogP | 1.387 |
| Topological Polar Surface Area | 134.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.19955 |
| Heavy Atoms | 34 |
| Complexity | 892.1846 |
Chemical Identifiers
| CAS Number | 57800-57-4 |
|---|---|
| SMILES | CC=C(COC(=O)C)C(=O)OC1CC2(CCC(C(C(O2)C3C1C(=C)C(=O)O3)CO)OC(=O)C)C |
Product Overview
Isochapliatrin (CAS 57800-57-4), with molecular formula C24H32O10 and molecular weight 480.20 g/mol. IUPAC: [12-acetyloxy-13-(hydroxymethyl)-9-methyl-5-methylidene-4-oxo-3,14-dioxatricyclo[7.4.1.02,6]tetradecan-7-yl] 2-(acetyloxymethyl)but-2-enoate.
Chemical Property Profile of Isochapliatrin
Property Insights of Isochapliatrin
The XLogP value of 1.387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isochapliatrin. The TPSA of 134.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Isochapliatrin. Following Lipinski's Rule of Five, Isochapliatrin has 1 hydrogen bond donor(s) and 10 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 Isochapliatrin?
The CAS number of Isochapliatrin is 57800-57-4.
What is the molecular formula of Isochapliatrin?
The molecular formula of Isochapliatrin is C24H32O10.
What is the molecular weight of Isochapliatrin?
The molecular weight of Isochapliatrin is 480.20 g/mol.
Where can I buy Isochapliatrin?
You can request a quote for Isochapliatrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isochapliatrin?
Yes, KEHONG BIO provides custom synthesis services for Isochapliatrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.