Gradolide
TL;DR: Gradolide (CAS 68852-48-2) is a chemical compound with molecular formula C25H34O7 and molecular weight 446.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,4S,6S,6aS,9aS,9bS)-6-hydroxy-3,6,9-trimethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
Also Known As: Gradolide, Taroide, [(3S,3aR,4S,6S,6aS,9aS,9bS)-6-hydroxy-3,6,9-trimethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate, (3s)-3abeta,4,5,6,6aalpha,7,9aalpha,9bbeta-octahydro-6alpha-hydroxy-3,6,9-trimethyl-3beta,4beta-bis[[(z)-2-methyl-1-oxo-2-butenyl]oxy]azuleno[4,5-b]furan-2(3h)-one, (3S,3AR,4S,6S,6AS,9AS,9BS)-6-HYDROXY-3,6,9-TRIMETHYL-3-{[(2Z)-2-METHYLBUT-2-ENOYL]OXY}-2-OXO-2H,3H,3AH,4H,5H,6H,6AH,7H,9AH,9BH-AZULENO[4,5-B]FURAN-4-YL (2Z)-2-METHYLBUT-2-ENOATE
| Molecular Formula | C25H34O7 |
|---|---|
| Molecular Weight | 446.23 g/mol |
| LogP | 3.4112 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.23044 |
| Heavy Atoms | 32 |
| Complexity | 909.2512 |
Chemical Identifiers
| CAS Number | 68852-48-2 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)O[C@H]1C[C@]([C@H]2CC=C([C@H]2[C@H]3[C@@H]1[C@](C(=O)O3)(C)OC(=O)/C(=C\C)/C)C)(C)O |
Product Overview
Gradolide (CAS 68852-48-2), with molecular formula C25H34O7 and molecular weight 446.23 g/mol. IUPAC: [(3S,3aR,4S,6S,6aS,9aS,9bS)-6-hydroxy-3,6,9-trimethyl-3-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate.
Chemical Property Profile of Gradolide
Property Insights of Gradolide
The XLogP value of 3.4112 indicates that Gradolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Gradolide. Following Lipinski's Rule of Five, Gradolide has 1 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 Gradolide?
The CAS number of Gradolide is 68852-48-2.
What is the molecular formula of Gradolide?
The molecular formula of Gradolide is C25H34O7.
What is the molecular weight of Gradolide?
The molecular weight of Gradolide is 446.23 g/mol.
Where can I buy Gradolide?
You can request a quote for Gradolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gradolide?
Yes, KEHONG BIO provides custom synthesis services for Gradolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.