CAS RN: 1372558-35-4
Chlorantholide C
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.20250501 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1372558-35-4
- Purity/Analytical Methods: >99.0%
1372558-35-4 / (4aR,8aS,9aR)-3,5,8a-trimethyl-4a,8,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2,7-dione
Basic Information
CAS
1372558-35-4
Multi CAS
No
Molecular Formula
C15H18O3
Molecular Weight
246.300000
Exact Mass
246.125594
SMILES
CC1=CC(=O)C[C@]2([C@H]1CC3=C(C(=O)O[C@@H]3C2)C)C
InChI
InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h4,12-13H,5-7H2,1-3H3/t12-,13+,15+/m0/s1
InChIKey
HVQUXKMKKKGSSD-GZBFAFLISA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.6
H-bond acceptors
3
Molar refractivity
66.79
TPSA
43.37
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
1.2
Consensus LogP
2.01
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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