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CAS 1609080-12-7 4-Dibenzofuranamine, 6-(1,1-dimethylethyl)-N-(2-methylphenyl)- molecular structure lightbox
CAS RN: 1609080-12-7

4-Dibenzofuranamine, 6-(1,1-dimethylethyl)-N-(2-methylphenyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250727 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1609080-12-7
  • Purity/Analytical Methods: >99.0%
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1609080-12-7 / 6-tert-butyl-N-(2-methylphenyl)dibenzofuran-4-amine

Standard CAS: 1609080-12-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1609080-12-7
Multi CAS
No
Molecular Formula
C23H23NO
Molecular Weight
329.400000
Exact Mass
329.177964
SMILES
CC1=CC=CC=C1NC2=CC=CC3=C2OC4=C3C=CC=C4C(C)(C)C
InChI
InChI=1S/C23H23NO/c1-15-9-5-6-13-19(15)24-20-14-8-11-17-16-10-7-12-18(23(2,3)4)21(16)25-22(17)20/h5-14,24H,1-4H3
InChIKey
RLTYMXMRZGMDAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
19
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
106.88
TPSA
25.17

LogP / Solubility

WLOGP
6.94
MLOGP
6.12
XLogP3
7.2
Consensus LogP
6.75
Log S (ESOL)
-6.68
Class (ESOL)
Insoluble
Log S (Ali)
-7.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.8
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
No
Log Kp (skin permeation)
0.19

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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