![(3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one structure](/static/products/5376/53760-20-6.webp)
(3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one
TL;DR: (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one (CAS 53760-20-6) is a chemical compound with molecular formula C28H37NO4 and molecular weight 451.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,5R,7S,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one
Also Known As: (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one
| Molecular Formula | C28H37NO4 |
|---|---|
| Molecular Weight | 451.27 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.27225 |
| Heavy Atoms | 33 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 53760-20-6 |
|---|---|
| SMILES | C[C@H]1CC=C[C@H]2[C@@H](C(=C)[C@H]([C@@H]3C2([C@@H](C=C[C@](C1)(C)O)O)C(=O)N[C@H]3CC4=CC=CC=C4)C)O |
| InChIKey | UKQNIEMKORIOQM-VZLDTMGLSA-N |
Product Overview
(3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one (CAS 53760-20-6), with molecular formula C28H37NO4 and molecular weight 451.27 g/mol. IUPAC: (2R,5R,7S,11R,12S,14S,15R,16S)-16-benzyl-2,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one.
Chemical Property Profile of (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one
Property Insights of (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one. Following Lipinski's Rule of Five, (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one has 4 hydrogen bond donor(s) and 4 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 (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one?
The CAS number of (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one is 53760-20-6.
What is the molecular formula of (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one?
The molecular formula of (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one is C28H37NO4.
What is the molecular weight of (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one?
The molecular weight of (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one is 451.27 g/mol.
Where can I buy (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one?
You can request a quote for (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one?
Yes, KEHONG BIO provides custom synthesis services for (3S,3aR,4S,6S,6aR,10S,12R,15R)-3-benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylidene-2H,3H,3aH,4H,6H,6aH,9H,10H,11H,15H-cycloundeca[d]isoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.