CAS RN: 927-89-9
CROTONYLBETAINE(CARNITINE IMPURITY)(RG)
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.20250215 | 50mg | In stock | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS927-89-9
- Purity/Analytical Methods: >99.0%
927-89-9 / (E)-4-(trimethylazaniumyl)but-2-enoate
Basic Information
CAS
927-89-9
Multi CAS
Yes
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
InChI
InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+
InChIKey
GUYHPGUANSLONG-SNAWJCMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
37.05
TPSA
40.13
LogP / Solubility
WLOGP
-1
MLOGP
-0.89
XLogP3
0.7
Consensus LogP
-0.4
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
-0.01
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.12
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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