CAS RN: 187754-47-8
187754-47-8
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.20251007 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS187754-47-8
- Purity/Analytical Methods: >99.0%
187754-47-8 / 9-[(2-bromophenyl)methyl]-9H-fluorene
Basic Information
CAS
187754-47-8
Multi CAS
No
Molecular Formula
C20H15Br
Molecular Weight
335.200000
Exact Mass
334.035710
SMILES
C1=CC=C(C(=C1)CC2C3=CC=CC=C3C4=CC=CC=C24)Br
InChI
InChI=1S/C20H15Br/c21-20-12-6-1-7-14(20)13-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h1-12,19H,13H2
InChIKey
NMRVZUOQBGOFDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
2
Molar refractivity
91.57
TPSA
0.0000
LogP / Solubility
WLOGP
5.8
MLOGP
5.12
XLogP3
6
Consensus LogP
5.64
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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