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CAS 898044-49-0 4-CHLOROQUINAZOLINE-2-CARBONITRILE molecular structure lightbox
CAS RN: 898044-49-0

4-CHLOROQUINAZOLINE-2-CARBONITRILE

  • Product code: SSC-201872
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 898044-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 4 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry

898044-49-0 / 4-chloroquinazoline-2-carbonitrile

Standard CAS: 898044-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
898044-49-0
Multi CAS
No
Molecular Formula
C9H4CLN3
Molecular Weight
189.600000
Exact Mass
189.009375
InChI
InChI=1S/C9H4ClN3/c10-9-6-3-1-2-4-7(6)12-8(5-11)13-9/h1-4H
InChIKey
STHFFVMWNKRMAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
49.26
TPSA
49.57

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
2.7
Consensus LogP
2.25
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-2.35

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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