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CAS 57876-69-4 2-Chloro-3-methylquinoline molecular structure lightbox
CAS RN: 57876-69-4

2-Chloro-3-methylquinoline

  • Product code: SSC-166079
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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, 5g, 10g
  • 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 57876-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

57876-69-4 / 2-chloro-3-methylquinoline

Standard CAS: 57876-69-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
57876-69-4
Multi CAS
No
Molecular Formula
C10H8CLN
Molecular Weight
177.630000
Exact Mass
177.034527
InChI
InChI=1S/C10H8ClN/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3
InChIKey
UMYPPRQNLXTIEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
1
Molar refractivity
51.49
TPSA
12.89

LogP / Solubility

WLOGP
3.2
MLOGP
2.81
XLogP3
3.5
Consensus LogP
3.17
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

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

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