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CAS 21854-95-5 2,2′-DICHLOROBENZIL molecular structure lightbox
CAS RN: 21854-95-5

2,2′-DICHLOROBENZIL

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250121 1g Out of stock Inquiry
Batchno.20260105 25g In stock Inquiry
Batchno.20250519 5g In stock Inquiry
  • Product code: SSC-105298
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 21854-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

21854-95-5 / 1,2-bis(2-chlorophenyl)ethane-1,2-dione

Standard CAS: 21854-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21854-95-5
Multi CAS
No
Molecular Formula
C14H8Cl2O2
Molecular Weight
279.100000
Exact Mass
277.990135
SMILES
C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C14H8Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H
InChIKey
VOSNNSVWVJFJCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
71.57
TPSA
34.14

LogP / Solubility

WLOGP
4.06
MLOGP
3.58
XLogP3
4.2
Consensus LogP
3.95
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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)
-1.54

Drug-likeness / Medicinal Chemistry

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

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