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CAS 1572-46-9 9-BENZYLFLUORENE molecular structure lightbox
CAS RN: 1572-46-9

9-BENZYLFLUORENE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250623 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1572-46-9
  • Purity/Analytical Methods: >99.0%
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1572-46-9 / 9-benzyl-9H-fluorene

Standard CAS: 1572-46-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1572-46-9
Multi CAS
No
Molecular Formula
C20H16
Molecular Weight
256.300000
Exact Mass
256.125201
SMILES
C1=CC=C(C=C1)CC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H16/c1-2-8-15(9-3-1)14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2
InChIKey
ZBQLAOVNDBNMFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
2
Molar refractivity
83.87
TPSA
0.0000

LogP / Solubility

WLOGP
5.04
MLOGP
4.44
XLogP3
5.3
Consensus LogP
4.93
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
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)
-0.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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