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CAS 14381-66-9 1,8-dichloro-anthracene molecular structure lightbox
CAS RN: 14381-66-9

1,8-dichloro-anthracene

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250904 100mg In stock Shanghai Inquiry
Batchno.20250416 10g In stock Shanghai Inquiry
Batchno.20250830 1g In stock Shanghai Inquiry
Batchno.20250209 250mg In stock Shanghai Inquiry
Batchno.20260108 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS14381-66-9
  • Purity/Analytical Methods: >99.0%
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14381-66-9 / 1,8-dichloroanthracene

Standard CAS: 14381-66-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14381-66-9
Multi CAS
No
Molecular Formula
C14H8Cl2
Molecular Weight
247.100000
Exact Mass
246.000306
SMILES
C1=CC2=CC3=C(C=C2C(=C1)Cl)C(=CC=C3)Cl
InChI
InChI=1S/C14H8Cl2/c15-13-5-1-3-9-7-10-4-2-6-14(16)12(10)8-11(9)13/h1-8H
InChIKey
YGIUYXOOOGQGIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
14
Molar refractivity
71.47
TPSA
0.0000

LogP / Solubility

WLOGP
5.3
MLOGP
4.67
XLogP3
5.9
Consensus LogP
5.29
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble

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)
-0.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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