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CAS 136812-19-6 2-CHLORO-3-QUINOLINECARBONYL CHLORIDE molecular structure lightbox
CAS RN: 136812-19-6

2-CHLORO-3-QUINOLINECARBONYL CHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250929 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-045900
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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: 0.25g
  • 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 136812-19-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

136812-19-6 / 2-chloroquinoline-3-carbonyl chloride

Standard CAS: 136812-19-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136812-19-6
Multi CAS
No
Molecular Formula
C10H5Cl2NO
Molecular Weight
226.060000
Exact Mass
224.974819
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)Cl)C(=O)Cl
InChI
InChI=1S/C10H5Cl2NO/c11-9-7(10(12)14)5-6-3-1-2-4-8(6)13-9/h1-5H
InChIKey
QZUMFCDPDBLWBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.94
TPSA
29.96

LogP / Solubility

WLOGP
3.27
MLOGP
2.88
XLogP3
3.7
Consensus LogP
3.28
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

Drug-likeness / Medicinal Chemistry

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

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