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CAS 1198395-24-2 2-(2-Biphenylyl)amino-9,9-dimethylfluorene molecular structure lightbox
CAS RN: 1198395-24-2

2-(2-Biphenylyl)amino-9,9-dimethylfluorene

  • Product code: SSC-020621
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1198395-24-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

1198395-24-2 / 9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

N-([1,1'-Biphenyl]-2-yl)-9,9-dimethyl-9H-fluoren-2-amine | DTXSID60735801 | N-((1,1'-Biphenyl)-2-yl)-9,9-dimethyl-9H-fluoren-2-amine

Standard CAS: 1198395-24-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198395-24-2
Multi CAS
No
Molecular Formula
C27H23N
Molecular Weight
361.500000
Exact Mass
361.183050
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=CC=CC=C4C5=CC=CC=C5)C
InChI
InChI=1S/C27H23N/c1-27(2)24-14-8-6-13-22(24)23-17-16-20(18-25(23)27)28-26-15-9-7-12-21(26)19-10-4-3-5-11-19/h3-18,28H,1-2H3
InChIKey
OBARUOOPPWHZRQ-UHFFFAOYSA-N
Synonyms
N-([1,1'-Biphenyl]-2-yl)-9,9-dimethyl-9H-fluoren-2-amine DTXSID60735801 N-((1,1'-Biphenyl)-2-yl)-9,9-dimethyl-9H-fluoren-2-amine RefChem:1090640 DTXCID00686545

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
119.17
TPSA
12.03

LogP / Solubility

WLOGP
7.4
MLOGP
6.53
XLogP3
7.6
Consensus LogP
7.18
Log S (ESOL)
-7.18
Class (ESOL)
Insoluble
Log S (Ali)
-7.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.51
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)
0.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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