CAS RN: 285979-71-7
CHOLINE-D9 BROMIDE (N,N,N-TRIMETHYL-D9)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251222 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS285979-71-7
- Purity/Analytical Methods: >99.0%
285979-71-7 / 2-hydroxyethyl(trimethyl)azanium bromide
Basic Information
CAS
285979-71-7
Multi CAS
Yes
Molecular Formula
BC5H14ORn
Molecular Weight
184.070000
Exact Mass
183.025880
InChI
InChI=1S/C5H14NO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
InChIKey
JJCWKVUUIFLXNZ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.99
TPSA
20.23
LogP / Solubility
WLOGP
-3.31
MLOGP
-2.92
XLogP3
-3.31
Consensus LogP
-3.18
Log S (ESOL)
1.24
Class (ESOL)
Highly soluble
Log S (Ali)
1.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.65
Class (SILICOS-IT)
Highly 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)
-6.19
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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