![CAS 124987-03-7 7β-Hydroxy-5,5aα,6,7,8,9,9a,9bα-octahydro-6,6,9aβ-trimethylnaphtho[1,2-c]furan-3(1H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/124987-03-7.gif)
CAS RN: 124987-03-7
7β-Hydroxy-5,5aα,6,7,8,9,9a,9bα-octahydro-6,6,9aβ-trimethylnaphtho[1,2-c]furan-3(1H)-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251117 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS124987-03-7
- Purity/Analytical Methods: >99.0%
124987-03-7 / (5aR,7S,9aS,9bR)-7-hydroxy-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one
Basic Information
CAS
124987-03-7
Multi CAS
No
Molecular Formula
C15H22O3
Molecular Weight
250.330000
Exact Mass
250.156895
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC=C3[C@@H]2COC3=O)(C)C)O
InChI
InChI=1S/C15H22O3/c1-14(2)11-5-4-9-10(8-18-13(9)17)15(11,3)7-6-12(14)16/h4,10-12,16H,5-8H2,1-3H3/t10-,11-,12-,15+/m0/s1
InChIKey
BXRHNOVSIVSFJG-JUFZMCDQSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.77
TPSA
46.53
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.5
Consensus LogP
2.27
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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