CAS RN: 1895-98-3
TRANS-9-STYRYLANTHRACENE
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.20260116 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1895-98-3
- Purity/Analytical Methods: >99.0%
1895-98-3 / 9-[(E)-2-phenylethenyl]anthracene
Basic Information
CAS
1895-98-3
Multi CAS
No
Molecular Formula
C22H16
Molecular Weight
280.400000
Exact Mass
280.125201
SMILES
C1=CC=C(C=C1)/C=C/C2=C3C=CC=CC3=CC4=CC=CC=C42
InChI
InChI=1S/C22H16/c1-2-8-17(9-3-1)14-15-22-20-12-6-4-10-18(20)16-19-11-5-7-13-21(19)22/h1-16H/b15-14+
InChIKey
HCSGQHDONHRJCM-CCEZHUSRSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
20
Rotatable bonds
2
Molar refractivity
96.82
TPSA
0.0000
LogP / Solubility
WLOGP
6.16
MLOGP
5.43
XLogP3
6.7
Consensus LogP
6.1
Log S (ESOL)
-6
Class (ESOL)
Insoluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.84
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.05
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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