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CAS 239-69-0 DINAPHTHO[1,2-B:2′,1′-D]FURAN molecular structure lightbox
CAS RN: 239-69-0

DINAPHTHO[1,2-B:2′,1′-D]FURAN

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250902 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS239-69-0
  • Purity/Analytical Methods: >99.0%
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239-69-0 / 12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

Standard CAS: 239-69-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
239-69-0
Multi CAS
No
Molecular Formula
C20H12O
Molecular Weight
268.300000
Exact Mass
268.088815
SMILES
C1=CC=C2C(=C1)C=CC3=C2OC4=C3C=CC5=CC=CC=C54
InChI
InChI=1S/C20H12O/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-12H
InChIKey
YBJNAFSCQYGLMU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
21
H-bond acceptors
1
Molar refractivity
88.73
TPSA
13.14

LogP / Solubility

WLOGP
5.89
MLOGP
5.19
XLogP3
6.7
Consensus LogP
5.93
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.29
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)
-0.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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