CAS RN: 147852-84-4
C8-HSL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250928 | 5mg / 10mg / 50mg / 250mg / 1g | Confirm by inquiry | Shanghai, Guangdong, Chongqing, Hebei, Shandong | Inquiry |
- Product code: starshine_CAS147852-84-4
- Purity/Analytical Methods: >99.0%
147852-84-4 / N-[(3S)-2-oxooxolan-3-yl]octanamide
Basic Information
CAS
147852-84-4
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CCCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey
JKEJEOJPJVRHMQ-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.88
TPSA
55.4
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
2.6
Consensus LogP
1.98
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.45
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)
-2.84
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
2
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