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CAS 1267248-41-8 3-(4-chlorophenyl)dibenzo[b,d]furan molecular structure lightbox
CAS RN: 1267248-41-8

3-(4-chlorophenyl)dibenzo[b,d]furan

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250822 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1267248-41-8
  • Purity/Analytical Methods: >99.0%
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1267248-41-8 / 3-(4-chlorophenyl)dibenzofuran

Standard CAS: 1267248-41-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1267248-41-8
Multi CAS
No
Molecular Formula
C18H11ClO
Molecular Weight
278.700000
Exact Mass
278.049843
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H11ClO/c19-14-8-5-12(6-9-14)13-7-10-16-15-3-1-2-4-17(15)20-18(16)11-13/h1-11H
InChIKey
AMFCLAQSSMMYGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
84.17
TPSA
13.14

LogP / Solubility

WLOGP
5.91
MLOGP
5.21
XLogP3
6.4
Consensus LogP
5.84
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.49
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.23

Drug-likeness / Medicinal Chemistry

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

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