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CAS 2102411-05-0 5-chloroquinoline-3-carbonitrile molecular structure lightbox
CAS RN: 2102411-05-0

5-chloroquinoline-3-carbonitrile

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250313 100mg Out of stock Inquiry
Batchno.20260301 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20251006 1g In stock Shanghai Inquiry
Batchno.20260314 250mg In stock Shanghai Inquiry
  • Product code: SSC-100034
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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 2102411-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2102411-05-0 / 5-chloroquinoline-3-carbonitrile

Standard CAS: 2102411-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2102411-05-0
Multi CAS
No
Molecular Formula
C10H5ClN2
Molecular Weight
188.610000
Exact Mass
188.014126
SMILES
C1=CC2=C(C=C(C=N2)C#N)C(=C1)Cl
InChI
InChI=1S/C10H5ClN2/c11-9-2-1-3-10-8(9)4-7(5-12)6-13-10/h1-4,6H
InChIKey
VKDJXCCKDOGUBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
51.47
TPSA
36.68

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
2.5
Consensus LogP
2.56
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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)
-1.91

Drug-likeness / Medicinal Chemistry

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

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