CAS RN: 83117-63-9
11beta,13-Dihydrolactucin
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.20251230 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS83117-63-9
- Purity/Analytical Methods: >99.0%
83117-63-9 / (3S,3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
Basic Information
CAS
83117-63-9
Multi CAS
Yes
Molecular Formula
C15H18O5
Molecular Weight
278.300000
Exact Mass
278.115424
InChI
InChI=1S/C15H18O5/c1-6-3-9(17)12-7(2)15(19)20-14(12)13-8(5-16)4-10(18)11(6)13/h4,7,9,12-14,16-17H,3,5H2,1-2H3/t7-,9-,12+,13-,14-/m0/s1
InChIKey
ZHZZKRDEPZMPLJ-WLVQVHLUSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
69.52
TPSA
83.83
LogP / Solubility
WLOGP
0.36
MLOGP
0.33
XLogP3
-0.6
Consensus LogP
0.03
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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