CAS RN: 98426-48-3
N-BUTYRYL-DL-HOMOSERINE LACTONE, ≥96% (HPLC)
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.20250226 | 5mg / 25mg / 100mg / 1g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: LINN914660
98426-48-3 / N-(2-oxooxolan-3-yl)butanamide
Basic Information
CAS
98426-48-3
Multi CAS
No
Molecular Formula
C8H13NO3
Molecular Weight
171.190000
Exact Mass
171.089543
InChI
InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)
InChIKey
VFFNZZXXTGXBOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.41
TPSA
55.4
LogP / Solubility
WLOGP
0.22
MLOGP
0.19
XLogP3
0.5
Consensus LogP
0.3
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
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)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
