CAS RN: 7538-38-7
N,N,N-triMethyl-1-(4-vinylphenyl)MethanaMiniuM chloride
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.20260108 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: starshine_CAS7538-38-7
- Purity/Analytical Methods: >99.0%
7538-38-7 / (4-ethenylphenyl)methyl-trimethylazanium chloride
Basic Information
CAS
7538-38-7
Multi CAS
No
Molecular Formula
C12H18CLN
Molecular Weight
211.730000
Exact Mass
211.112777
InChI
InChI=1S/C12H18N.ClH/c1-5-11-6-8-12(9-7-11)10-13(2,3)4;/h5-9H,1,10H2,2-4H3;1H/q+1;/p-1
InChIKey
TVXNKQRAZONMHJ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
58.27
TPSA
0.0000
LogP / Solubility
WLOGP
-0.46
MLOGP
-0.4
XLogP3
-0.46
Consensus LogP
-0.44
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.01
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)
-4.34
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
1.5
