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CAS 17119-74-3 5-BroMo-4-chloro-6-Methyl-2-(Methylthio)pyriMidine molecular structure lightbox
CAS RN: 17119-74-3

5-BroMo-4-chloro-6-Methyl-2-(Methylthio)pyriMidine

  • Product code: SSC-075419
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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, 5g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 17119-74-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

17119-74-3 / 5-bromo-4-chloro-6-methyl-2-methylsulfanylpyrimidine

Standard CAS: 17119-74-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17119-74-3
Multi CAS
No
Molecular Formula
C6H6BrClN2S
Molecular Weight
253.550000
Exact Mass
251.912360
SMILES
CC1=C(C(=NC(=N1)SC)Cl)Br
InChI
InChI=1S/C6H6BrClN2S/c1-3-4(7)5(8)10-6(9-3)11-2/h1-2H3
InChIKey
HAEVAPWVIGZOMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.26
TPSA
25.78

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
3.1
Consensus LogP
2.87
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

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

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