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CAS 1246308-82-6 2-(2-Nitrophenyl)dibenzofuran molecular structure lightbox
CAS RN: 1246308-82-6

2-(2-Nitrophenyl)dibenzofuran

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1246308-82-6
  • Purity/Analytical Methods: >99.0%
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1246308-82-6 / 2-(2-nitrophenyl)dibenzofuran

Standard CAS: 1246308-82-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246308-82-6
Multi CAS
No
Molecular Formula
C18H11NO3
Molecular Weight
289.300000
Exact Mass
289.073893
SMILES
C1=CC=C(C(=C1)C2=CC3=C(C=C2)OC4=CC=CC=C43)[N+](=O)[O-]
InChI
InChI=1S/C18H11NO3/c20-19(21)16-7-3-1-5-13(16)12-9-10-18-15(11-12)14-6-2-4-8-17(14)22-18/h1-11H
InChIKey
HNGVCNKOEXITNG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
19
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
85.81
TPSA
56.28

LogP / Solubility

WLOGP
5.16
MLOGP
4.55
XLogP3
5.1
Consensus LogP
4.94
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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