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CAS 2381-23-9 9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 2381-23-9

9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONYL CHLORIDE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260410 10g In stock Shanghai Inquiry
Batchno.20250518 1g In stock Shanghai, Shandong Inquiry
Batchno.20250228 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2381-23-9
  • Purity/Analytical Methods: >99.0%
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2381-23-9 / 9,10-dioxoanthracene-2-sulfonyl chloride

Standard CAS: 2381-23-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2381-23-9
Multi CAS
No
Molecular Formula
C14H7ClO4S
Molecular Weight
306.700000
Exact Mass
305.975358
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)Cl
InChI
InChI=1S/C14H7ClO4S/c15-20(18,19)8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H
InChIKey
UDFCHANCMRCOQT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
72.79
TPSA
68.28

LogP / Solubility

WLOGP
2.39
MLOGP
2.12
XLogP3
2.9
Consensus LogP
2.47
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-2.89

Drug-likeness / Medicinal Chemistry

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

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