乐园树素
TL;DR: 乐园树素 (CAS 1448-23-3) is a chemical compound with molecular formula C25H36O10 and molecular weight 496.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乐园树素
[(1S,4R,5R,6R,7S,8R,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate
Also Known As: GLAUCARUBIN, Simarubaceae, Glaumeba, Glarubin, Glaucarubina
| Molecular Formula | C25H36O10 |
|---|---|
| Molecular Weight | 496.23 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.23083 |
| Heavy Atoms | 35 |
| Complexity | 981.0 |
Chemical Identifiers
| CAS Number | 1448-23-3 |
|---|---|
| SMILES | CC[C@@](C)(C(=O)O[C@@H]1[C@H]2[C@H]([C@H]([C@]3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H]([C@H](C=C5C)O)O)C)OC1=O)O)O)C)O |
| InChIKey | LZKVXMYVBSNXER-YZPKDWIXSA-N |
Product Overview
乐园树素 (CAS 1448-23-3), with molecular formula C25H36O10 and molecular weight 496.23 g/mol. IUPAC: [(1S,4R,5R,6R,7S,8R,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] (2S)-2-hydroxy-2-methylbutanoate.
Chemical Property Profile of 乐园树素
Property Insights of 乐园树素
The XLogP value of -0.2 indicates that 乐园树素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting 乐园树素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 乐园树素 has 5 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 乐园树素?
The CAS number of 乐园树素 is 1448-23-3.
What is the molecular formula of 乐园树素?
The molecular formula of 乐园树素 is C25H36O10.
What is the molecular weight of 乐园树素?
The molecular weight of 乐园树素 is 496.23 g/mol.
Where can I buy 乐园树素?
You can request a quote for 乐园树素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乐园树素?
Yes, KEHONG BIO provides custom synthesis services for 乐园树素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.