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CAS 54628-90-9 3-(4-Aminophenyl)-1,1,3-trimethyl-5-indanamine molecular structure lightbox
CAS RN: 54628-90-9

3-(4-Aminophenyl)-1,1,3-trimethyl-5-indanamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS54628-90-9
  • Purity/Analytical Methods: >99.0%
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54628-90-9 / 3-(4-aminophenyl)-1,1,3-trimethyl-2H-inden-5-amine

Standard CAS: 54628-90-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54628-90-9
Multi CAS
No
Molecular Formula
C18H22N2
Molecular Weight
266.400000
Exact Mass
266.178299
InChI
InChI=1S/C18H22N2/c1-17(2)11-18(3,12-4-6-13(19)7-5-12)16-10-14(20)8-9-15(16)17/h4-10H,11,19-20H2,1-3H3
InChIKey
GDGWSSXWLLHGGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
85.81
TPSA
52.04

LogP / Solubility

WLOGP
3.84
MLOGP
3.39
XLogP3
4.3
Consensus LogP
3.84
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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