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CAS 2832-30-6 5,8-DICHLORO-1,4-DIHYDROXYANTHRAQUINONE molecular structure lightbox
CAS RN: 2832-30-6

5,8-DICHLORO-1,4-DIHYDROXYANTHRAQUINONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250222 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2832-30-6
  • Purity/Analytical Methods: >99.0%
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2832-30-6 / 1,4-dichloro-5,8-dihydroxyanthracene-9,10-dione

Standard CAS: 2832-30-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2832-30-6
Multi CAS
Yes
Molecular Formula
C14H6Cl2O4
Molecular Weight
309.100000
Exact Mass
307.964314
InChI
InChI=1S/C14H6Cl2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H
InChIKey
MEHLXACDLXEVBE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.1
TPSA
74.6

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
4.5
Consensus LogP
3.5
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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