CAS RN: 1372558-33-2
Chlorantholide A
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.20250227 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1372558-33-2
- Purity/Analytical Methods: >99.0%
1372558-33-2 / (4aS,8aS)-3,5,8a-trimethyl-4a,8-dihydro-4H-benzo[f][1]benzofuran-2,7-dione
Basic Information
CAS
1372558-33-2
Multi CAS
No
Molecular Formula
C15H16O3
Molecular Weight
244.280000
Exact Mass
244.109944
SMILES
CC1=CC(=O)C[C@]2([C@H]1CC3=C(C(=O)OC3=C2)C)C
InChI
InChI=1S/C15H16O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h4,7,12H,5-6H2,1-3H3/t12-,15+/m0/s1
InChIKey
HCWOSGGWMYYACF-SWLSCSKDSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.47
H-bond acceptors
3
Molar refractivity
66.47
TPSA
43.37
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
1.4
Consensus LogP
2.15
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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