Florigrandin
TL;DR: Florigrandin (CAS 5458-35-5) is a chemical compound with molecular formula C20H30O7 and molecular weight 382.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3aR,5R,5aS,6S,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl] 2-methylbutanoate
Also Known As: Florigrandin, KST-1A5881, (3r,3as,4as,7s,7as,8r,9ar)-3-hydroxy-3-(hydroxymethyl)-4a,8-dimethyl-2,5-dioxododecahydroazuleno[6,5-b]furan-7-yl 2-methylbutanoate, (R)-2-Methyl-butyric acid (3R,3aS,4aS,7S,7aS,8R,9aR)-3-hydroxy-3-hydroxymethyl-4a,8-dimethyl-2,5-dioxo-dodecahydro-azuleno[6,5-b]furan-7-yl ester, [(1R,3aR,5R,5aS,6S,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl] 2-methylbutanoate
| Molecular Formula | C20H30O7 |
|---|---|
| Molecular Weight | 382.20 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.19916 |
| Heavy Atoms | 27 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 5458-35-5 |
|---|---|
| SMILES | CCC(C)C(=O)O[C@H]1CC(=O)[C@@]2([C@@H]1[C@@H](C[C@@H]3[C@H](C2)[C@](C(=O)O3)(CO)O)C)C |
| InChIKey | SMAJXKLVHWNBRU-QTTWJULZSA-N |
Product Overview
Florigrandin (CAS 5458-35-5), with molecular formula C20H30O7 and molecular weight 382.20 g/mol. IUPAC: [(1R,3aR,5R,5aS,6S,8aS,9aS)-1-hydroxy-1-(hydroxymethyl)-5,8a-dimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,5-b]furan-6-yl] 2-methylbutanoate.
Chemical Property Profile of Florigrandin
Property Insights of Florigrandin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Florigrandin. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Florigrandin. Following Lipinski's Rule of Five, Florigrandin has 2 hydrogen bond donor(s) and 7 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 Florigrandin?
The CAS number of Florigrandin is 5458-35-5.
What is the molecular formula of Florigrandin?
The molecular formula of Florigrandin is C20H30O7.
What is the molecular weight of Florigrandin?
The molecular weight of Florigrandin is 382.20 g/mol.
Where can I buy Florigrandin?
You can request a quote for Florigrandin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Florigrandin?
Yes, KEHONG BIO provides custom synthesis services for Florigrandin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.