CAS RN: 5369-00-6
QX 222
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251105 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS5369-00-6
- Purity/Analytical Methods: >99.0%
5369-00-6 / [2-(2,6-dimethylanilino)-2-oxoethyl]-trimethylazanium chloride
Basic Information
CAS
5369-00-6
Multi CAS
Yes
Molecular Formula
C13H21CLN2O
Molecular Weight
256.770000
Exact Mass
256.134241
InChI
InChI=1S/C13H20N2O.ClH/c1-10-7-6-8-11(2)13(10)14-12(16)9-15(3,4)5;/h6-8H,9H2,1-5H3;1H
InChIKey
WFKXSWWTOZBDME-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
67.45
TPSA
29.1
LogP / Solubility
WLOGP
-1.05
MLOGP
-0.92
XLogP3
-1.05
Consensus LogP
-1.01
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-5.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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ButanaMide, N,N,3-triMethyl-
- CAS RN: 5370-28-5
- Product Code: starshine_CAS5370-28-5
- Purity/Analytical method: >99.0%
