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CAS 21728-15-4 4,7-DICHLORO-2,8-DIMETHYLQUINOLINE molecular structure lightbox
CAS RN: 21728-15-4

4,7-DICHLORO-2,8-DIMETHYLQUINOLINE

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250410 1g In stock Inquiry
Batchno.20250417 5g In stock Inquiry
  • Product code: SSC-104771
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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: ＞95%
  • 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 21728-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shenzhen Inquiry

21728-15-4 / 4,7-dichloro-2,8-dimethylquinoline

Standard CAS: 21728-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21728-15-4
Multi CAS
No
Molecular Formula
C11H9Cl2N
Molecular Weight
226.100000
Exact Mass
225.011205
SMILES
CC1=CC(=C2C=CC(=C(C2=N1)C)Cl)Cl
InChI
InChI=1S/C11H9Cl2N/c1-6-5-10(13)8-3-4-9(12)7(2)11(8)14-6/h3-5H,1-2H3
InChIKey
FGFQQASKLBXKQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
H-bond acceptors
1
Molar refractivity
61.24
TPSA
12.89

LogP / Solubility

WLOGP
4.16
MLOGP
3.66
XLogP3
4.2
Consensus LogP
4.01
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
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)
-1.15

Drug-likeness / Medicinal Chemistry

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

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