CAS RN: 22826-55-7
(N,N-DiMethylaMinoMethyl)styrene
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.20260122 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22826-55-7
- Purity/Analytical Methods: >99.0%
22826-55-7 / 1-(2-ethenylphenyl)-N,N-dimethylmethanamine
Basic Information
CAS
22826-55-7
Multi CAS
No
Molecular Formula
C11H15N
Molecular Weight
161.240000
Exact Mass
161.120449
SMILES
CN(C)CC1=CC=CC=C1C=C
InChI
InChI=1S/C11H15N/c1-4-10-7-5-6-8-11(10)9-12(2)3/h4-8H,1,9H2,2-3H3
InChIKey
YVLKCQAGVDGTRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
53.92
TPSA
3.24
LogP / Solubility
WLOGP
2.39
MLOGP
2.1
XLogP3
2.5
Consensus LogP
2.33
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
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)
-2.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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