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CAS 17999-80-3 4,7,8-TRICHLOROQUINOLINE molecular structure lightbox
CAS RN: 17999-80-3

4,7,8-TRICHLOROQUINOLINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250530 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-080369
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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: 1g
  • 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 17999-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

17999-80-3 / 4,7,8-trichloroquinoline

Standard CAS: 17999-80-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17999-80-3
Multi CAS
No
Molecular Formula
C9H4Cl3N
Molecular Weight
232.500000
Exact Mass
230.940932
SMILES
C1=CC(=C(C2=NC=CC(=C21)Cl)Cl)Cl
InChI
InChI=1S/C9H4Cl3N/c10-6-3-4-13-9-5(6)1-2-7(11)8(9)12/h1-4H
InChIKey
FSCPDTYVUKZTGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
1
Molar refractivity
56.77
TPSA
12.89

LogP / Solubility

WLOGP
4.2
MLOGP
3.7
XLogP3
4.1
Consensus LogP
4
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
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)
-1.16

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501

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