CAS RN: 1253106-58-9
Chlorantholide D
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.20260504 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1253106-58-9
- Purity/Analytical Methods: >99.0%
1253106-58-9 / (4aR,8aR,9aS)-9a-hydroxy-3,5,8a-trimethyl-4,4a,8,9-tetrahydrobenzo[f][1]benzofuran-2,7-dione
Basic Information
CAS
1253106-58-9
Multi CAS
No
Molecular Formula
C15H18O4
Molecular Weight
262.300000
Exact Mass
262.120509
SMILES
CC1=CC(=O)C[C@]2([C@H]1CC3=C(C(=O)O[C@]3(C2)O)C)C
InChI
InChI=1S/C15H18O4/c1-8-4-10(16)6-14(3)7-15(18)12(5-11(8)14)9(2)13(17)19-15/h4,11,18H,5-7H2,1-3H3/t11-,14+,15-/m0/s1
InChIKey
PASWZWOWOOCKAU-GLQYFDAESA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.95
TPSA
63.6
LogP / Solubility
WLOGP
1.88
MLOGP
1.67
XLogP3
0.5
Consensus LogP
1.35
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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