CAS RN: 140447-14-9
11-hydroxyjasmonic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251109 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS140447-14-9
- Purity/Analytical Methods: >99.0%
140447-14-9 / 2-[(1R,2R)-2-[(Z,4S)-4-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
Basic Information
CAS
140447-14-9
Multi CAS
No
Molecular Formula
C12H18O4
Molecular Weight
226.270000
Exact Mass
226.120509
SMILES
C[C@@H](/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O)O
InChI
InChI=1S/C12H18O4/c1-8(13)3-2-4-10-9(7-12(15)16)5-6-11(10)14/h2-3,8-10,13H,4-7H2,1H3,(H,15,16)/b3-2-/t8-,9+,10+/m0/s1
InChIKey
KLPBEXRQJBKPDM-JQQSAOSDSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.91
TPSA
74.6
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
0.3
Consensus LogP
0.97
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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