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CAS 1935563-21-5 6-Chloro-2-(chloromethyl)quinazoline molecular structure lightbox
CAS RN: 1935563-21-5

6-Chloro-2-(chloromethyl)quinazoline

  • Product code: SSC-091178
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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: 2
  • 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 1935563-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 3 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1935563-21-5 / 6-chloro-2-(chloromethyl)quinazoline

Standard CAS: 1935563-21-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1935563-21-5
Multi CAS
No
Molecular Formula
C9H6Cl2N2
Molecular Weight
213.060000
Exact Mass
211.990804
SMILES
C1=CC2=NC(=NC=C2C=C1Cl)CCl
InChI
InChI=1S/C9H6Cl2N2/c10-4-9-12-5-6-3-7(11)1-2-8(6)13-9/h1-3,5H,4H2
InChIKey
ZIFRKKQJRCDQRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.11
TPSA
25.78

LogP / Solubility

WLOGP
3.02
MLOGP
2.66
XLogP3
2.6
Consensus LogP
2.76
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-1.87

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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