Grandilactone B
TL;DR: Grandilactone B (CAS 75144-71-7) is a chemical compound with molecular formula C25H34O9 and molecular weight 478.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4R,5R,6R,7S,11S,12R,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-12-yl] (E)-2-methylbut-2-enoate
Also Known As: Grandilactone B, 6alpha-tigloyloxychaparrin, Picras-3-en-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-6-((2-methyl-1-oxo-2-butenyl)oxy)-, (1beta,2alpha,6alpha(E),11beta,12alpha)-
| Molecular Formula | C25H34O9 |
|---|---|
| Molecular Weight | 478.22 g/mol |
| LogP | 0.4459 |
| Topological Polar Surface Area | 142.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 478.22028 |
| Heavy Atoms | 34 |
| Complexity | 988.8707 |
Chemical Identifiers
| CAS Number | 75144-71-7 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@@H]1[C@H]2C(=C[C@@H]([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)O)C |
Product Overview
Grandilactone B (CAS 75144-71-7), with molecular formula C25H34O9 and molecular weight 478.22 g/mol. IUPAC: [(1S,4R,5R,6R,7S,11S,12R,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-12-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of Grandilactone B
Property Insights of Grandilactone B
The XLogP value of 0.4459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Grandilactone B. The TPSA of 142.75 Ų indicates high polarity, suggesting Grandilactone B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Grandilactone B has 4 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 B?
The CAS number of Grandilactone B is 75144-71-7.
What is the molecular formula of Grandilactone B?
The molecular formula of Grandilactone B is C25H34O9.
What is the molecular weight of Grandilactone B?
The molecular weight of Grandilactone B is 478.22 g/mol.
Where can I buy Grandilactone B?
You can request a quote for Grandilactone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grandilactone B?
Yes, KEHONG BIO provides custom synthesis services for Grandilactone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.