CAS RN: 4309-66-4
TRANS-4-AMINOSTILBENE
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.20251213 | 500mg / 1g / 5g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: starshine_CAS4309-66-4
- Purity/Analytical Methods: >99.0%
4309-66-4 / 4-(2-phenylethenyl)aniline
Basic Information
CAS
4309-66-4
Multi CAS
Yes
Molecular Formula
C14H13N
Molecular Weight
195.260000
Exact Mass
195.104799
InChI
InChI=1S/C14H13N/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,15H2/b7-6+
InChIKey
VFPLSXYJYAKZCT-VOTSOKGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.22
TPSA
26.02
LogP / Solubility
WLOGP
3.44
MLOGP
3.03
XLogP3
3.8
Consensus LogP
3.42
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47
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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