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CAS 1372778-66-9 2-(3-Biphenylyl)amino-9,9-dimethylfluorene molecular structure lightbox
CAS RN: 1372778-66-9

2-(3-Biphenylyl)amino-9,9-dimethylfluorene

  • Product code: SSC-046741
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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: 5g
  • Available purity: ＞97%
  • 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 1372778-66-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1372778-66-9 / 9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine

Standard CAS: 1372778-66-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1372778-66-9
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(=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C27H23N/c1-27(2)25-14-7-6-13-23(25)24-16-15-22(18-26(24)27)28-21-12-8-11-20(17-21)19-9-4-3-5-10-19/h3-18,28H,1-2H3
InChIKey
SLMLVHPSGBYQPA-UHFFFAOYSA-N

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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