Grandilactone A
TL;DR: Grandilactone A (CAS 69423-70-7) is a chemical compound with molecular formula C25H32O9 and molecular weight 476.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4R,5R,6R,7S,11S,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] (E)-2-methylbut-2-enoate
Also Known As: Grandilactone A, 6-alpha-Tigloyloxychaparrinone, Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-6-((2-methyl-1-oxo-2-butenyl)oxy)-, (1beta,6alpha(E),11beta,12alpha)-
| Molecular Formula | C25H32O9 |
|---|---|
| Molecular Weight | 476.20 g/mol |
| LogP | 0.6541 |
| Topological Polar Surface Area | 139.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 476.20462 |
| Heavy Atoms | 34 |
| Complexity | 1031.4037 |
Chemical Identifiers
| CAS Number | 69423-70-7 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)OC1[C@H]2C(=CC(=O)[C@H]([C@@]2([C@@H]3[C@@]45[C@@H]1OC(=O)C[C@H]4[C@H]([C@H]([C@@]3(OC5)O)O)C)C)O)C |
Product Overview
Grandilactone A (CAS 69423-70-7), with molecular formula C25H32O9 and molecular weight 476.20 g/mol. IUPAC: [(1S,4R,5R,6R,7S,11S,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of Grandilactone A
Property Insights of Grandilactone A
The XLogP value of 0.6541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Grandilactone A. The TPSA of 139.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Grandilactone A. Following Lipinski's Rule of Five, Grandilactone A has 3 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 Grandilactone A?
The CAS number of Grandilactone A is 69423-70-7.
What is the molecular formula of Grandilactone A?
The molecular formula of Grandilactone A is C25H32O9.
What is the molecular weight of Grandilactone A?
The molecular weight of Grandilactone A is 476.20 g/mol.
Where can I buy Grandilactone A?
You can request a quote for Grandilactone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grandilactone A?
Yes, KEHONG BIO provides custom synthesis services for Grandilactone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.