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CAS 89508-47-4 4,6-DICHLORO-2-(3-PYRIDINYL)PYRIMIDINE molecular structure lightbox
CAS RN: 89508-47-4

4,6-DICHLORO-2-(3-PYRIDINYL)PYRIMIDINE

  • Product code: SSC-201502
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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: ＞97%
  • 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 89508-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

89508-47-4 / 4,6-dichloro-2-pyridin-3-ylpyrimidine

Standard CAS: 89508-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89508-47-4
Multi CAS
No
Molecular Formula
C9H5CL2N3
Molecular Weight
226.060000
Exact Mass
224.986053
InChI
InChI=1S/C9H5Cl2N3/c10-7-4-8(11)14-9(13-7)6-2-1-3-12-5-6/h1-5H
InChIKey
RECDDDYREDDCDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
55.28
TPSA
38.67

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
2.7
Consensus LogP
2.69
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-2.08

Drug-likeness / Medicinal Chemistry

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

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