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CAS 354987-86-3 9,9-dimethyl-N2,N7-diphenyl-9H-fluorene-2,7-diamine molecular structure lightbox
CAS RN: 354987-86-3

9,9-dimethyl-N2,N7-diphenyl-9H-fluorene-2,7-diamine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251201 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS354987-86-3
  • Purity/Analytical Methods: >99.0%
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354987-86-3 / 9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine

Standard CAS: 354987-86-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
354987-86-3
Multi CAS
No
Molecular Formula
C27H24N2
Molecular Weight
376.500000
Exact Mass
376.193949
InChI
InChI=1S/C27H24N2/c1-27(2)25-17-21(28-19-9-5-3-6-10-19)13-15-23(25)24-16-14-22(18-26(24)27)29-20-11-7-4-8-12-20/h3-18,28-29H,1-2H3
InChIKey
OZANGHRJXVCOBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
123.46
TPSA
24.06

LogP / Solubility

WLOGP
7.48
MLOGP
6.6
XLogP3
7.5
Consensus LogP
7.19
Log S (ESOL)
-7.24
Class (ESOL)
Insoluble
Log S (Ali)
-8.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.8
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)
0.29

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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