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CAS 479093-25-9 9H-Fluoren-2-amine, 9,9-dimethyl-N-(4-methylphenyl)- molecular structure lightbox
CAS RN: 479093-25-9

9H-Fluoren-2-amine, 9,9-dimethyl-N-(4-methylphenyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS479093-25-9
  • Purity/Analytical Methods: >99.0%
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479093-25-9 / 9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine

Standard CAS: 479093-25-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
479093-25-9
Multi CAS
Yes
Molecular Formula
C22H21N
Molecular Weight
299.400000
Exact Mass
299.167400
InChI
InChI=1S/C22H21N/c1-15-8-10-16(11-9-15)23-17-12-13-19-18-6-4-5-7-20(18)22(2,3)21(19)14-17/h4-14,23H,1-3H3
InChIKey
OISJEGXDVDTHGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
98.47
TPSA
12.03

LogP / Solubility

WLOGP
6.04
MLOGP
5.33
XLogP3
6.3
Consensus LogP
5.89
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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