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CAS 1936538-67-8 6-Bromo-2-(chloromethyl)quinazoline molecular structure lightbox
CAS RN: 1936538-67-8

6-Bromo-2-(chloromethyl)quinazoline

  • Product code: SSC-091431
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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, 0.25g, 10g, 5g, 0.1g
  • 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 1936538-67-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 3 In Stock Hong Kong Inquiry
10g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1936538-67-8 / 6-bromo-2-(chloromethyl)quinazoline

Standard CAS: 1936538-67-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1936538-67-8
Multi CAS
No
Molecular Formula
C9H6BrClN2
Molecular Weight
257.510000
Exact Mass
255.940290
SMILES
C1=CC2=NC(=NC=C2C=C1Br)CCl
InChI
InChI=1S/C9H6BrClN2/c10-7-1-2-8-6(3-7)5-12-9(4-11)13-8/h1-3,5H,4H2
InChIKey
SCFPBMZVJYCVJN-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
56.8
TPSA
25.78

LogP / Solubility

WLOGP
3.13
MLOGP
2.76
XLogP3
2.7
Consensus LogP
2.86
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-2.07

Drug-likeness / Medicinal Chemistry

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

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