CAS RN: 1836-87-9
9-BENZYLIDENEFLUORENE
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.20250912 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1836-87-9
- Purity/Analytical Methods: >99.0%
1836-87-9 / 9-benzylidenefluorene
Basic Information
CAS
1836-87-9
Multi CAS
No
Molecular Formula
C20H14
Molecular Weight
254.300000
Exact Mass
254.109550
SMILES
C1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C20H14/c1-2-8-15(9-3-1)14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-14H
InChIKey
RMQMLYMBZGDKBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
1
Molar refractivity
85.29
TPSA
0.0000
LogP / Solubility
WLOGP
5.26
MLOGP
4.63
XLogP3
5.1
Consensus LogP
5
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-0.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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