CAS RN: 1504585-16-3
4-(1,2,2-Triphenylethenyl)benzenemethanamine
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.20250930 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1504585-16-3
- Purity/Analytical Methods: >99.0%
1504585-16-3 / [4-(1,2,2-triphenylethenyl)phenyl]methanamine
Basic Information
CAS
1504585-16-3
Multi CAS
No
Molecular Formula
C27H23N
Molecular Weight
361.500000
Exact Mass
361.183050
SMILES
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)CN)C4=CC=CC=C4
InChI
InChI=1S/C27H23N/c28-20-21-16-18-25(19-17-21)27(24-14-8-3-9-15-24)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19H,20,28H2
InChIKey
UQEYZDXHHMETHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
118.68
TPSA
26.02
LogP / Solubility
WLOGP
6.15
MLOGP
5.43
XLogP3
6.8
Consensus LogP
6.13
Log S (ESOL)
-6.26
Class (ESOL)
Insoluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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