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CAS 1793062-92-6 2-Dibenzofuranamine, N-2-dibenzothienyl- molecular structure lightbox
CAS RN: 1793062-92-6

2-Dibenzofuranamine, N-2-dibenzothienyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1793062-92-6
  • Purity/Analytical Methods: >99.0%
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1793062-92-6 / N-dibenzothiophen-2-yldibenzofuran-2-amine

Standard CAS: 1793062-92-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1793062-92-6
Multi CAS
No
Molecular Formula
C24H15NOS
Molecular Weight
365.400000
Exact Mass
365.087435
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)NC4=CC5=C(C=C4)SC6=CC=CC=C65
InChI
InChI=1S/C24H15NOS/c1-3-7-21-17(5-1)19-13-15(9-11-22(19)26-21)25-16-10-12-24-20(14-16)18-6-2-4-8-23(18)27-24/h1-14,25H
InChIKey
ZVJRLNBQBCOSFO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
26
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
116.33
TPSA
25.17

LogP / Solubility

WLOGP
7.7
MLOGP
6.79
XLogP3
7.6
Consensus LogP
7.36
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-8.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.66
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)
0.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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