CAS RN: 25518-49-4
(3R)-3-(2-methylpropanoyloxy)-4-trimethylazaniumylbutanoate
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251001 | 10mg | In stock | Hebei | Inquiry |
- Product code: starshine_CAS25518-49-4
- Purity/Analytical Methods: >99.0%
25518-49-4 / (3R)-3-(2-methylpropanoyloxy)-4-(trimethylazaniumyl)butanoate
Basic Information
CAS
25518-49-4
Multi CAS
Yes
Molecular Formula
C11H21NO4
Molecular Weight
231.290000
Exact Mass
231.147058
InChI
InChI=1S/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1
InChIKey
LRCNOZRCYBNMEP-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
57.24
TPSA
66.43
LogP / Solubility
WLOGP
-0.6
MLOGP
-0.52
XLogP3
1.4
Consensus LogP
0.09
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.56
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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