3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate
TL;DR: 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate (CAS 120028-82-2) is a chemical compound with molecular formula C26H36O9 and molecular weight 492.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4R,6S,11S)-2,8-diacetyloxy-3,6-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Also Known As: Weisiensin A, KST-1A0858, NCI60_020684, 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate, (3
| Molecular Formula | C26H36O9 |
|---|---|
| Molecular Weight | 492.24 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.23593 |
| Heavy Atoms | 35 |
| Complexity | 985.0 |
Chemical Identifiers
| CAS Number | 120028-82-2 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC2CC3(C1C4([C@H](C([C@@H]3OC(=O)C)O)C([C@H](CC4OC(=O)C)O)(C)C)C)C(=O)C2=C |
| InChIKey | QTLPNFQMZWBMDF-QWOINNSUSA-N |
Product Overview
3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate (CAS 120028-82-2), with molecular formula C26H36O9 and molecular weight 492.24 g/mol. IUPAC: [(2R,4R,6S,11S)-2,8-diacetyloxy-3,6-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate.
Chemical Property Profile of 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate
Property Insights of 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate. Following Lipinski's Rule of Five, 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate has 2 hydrogen bond donor(s) and 9 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 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate?
The CAS number of 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate is 120028-82-2.
What is the molecular formula of 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate?
The molecular formula of 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate is C26H36O9.
What is the molecular weight of 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate?
The molecular weight of 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate is 492.24 g/mol.
Where can I buy 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate?
You can request a quote for 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dihydroxy-15-oxokaur-16-ene-1,7,11-triyl triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.