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CAS 89938-07-8 2,4-dichloro-6-propyl-pyrimidine molecular structure lightbox
CAS RN: 89938-07-8

2,4-dichloro-6-propyl-pyrimidine

  • Product code: SSC-202129
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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 89938-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

89938-07-8 / 2,4-dichloro-6-propylpyrimidine

Standard CAS: 89938-07-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89938-07-8
Multi CAS
Yes
Molecular Formula
C7H8CL2N2
Molecular Weight
191.050000
Exact Mass
190.006454
InChI
InChI=1S/C7H8Cl2N2/c1-2-3-5-4-6(8)11-7(9)10-5/h4H,2-3H2,1H3
InChIKey
XUJXLDZCRUCDJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
46.05
TPSA
25.78

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
3.3
Consensus LogP
2.82
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-1.94

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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