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CAS 38875-74-0 4-Chloro-2-MethylpyriMidine-5-carbonitrile molecular structure lightbox
CAS RN: 38875-74-0

4-Chloro-2-MethylpyriMidine-5-carbonitrile

  • Product code: SSC-146493
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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: 0.25g, 1g, 5g, 10g
  • Available purity: ≥98%
  • 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 38875-74-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 0 Out of Stock Shanghai Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry

38875-74-0 / 4-chloro-2-methylpyrimidine-5-carbonitrile

Standard CAS: 38875-74-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38875-74-0
Multi CAS
No
Molecular Formula
C6H4CLN3
Molecular Weight
153.570000
Exact Mass
153.009375
InChI
InChI=1S/C6H4ClN3/c1-4-9-3-5(2-8)6(7)10-4/h3H,1H3
InChIKey
HBTCIXIDTLGBFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
H-bond acceptors
3
Molar refractivity
36.49
TPSA
49.57

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
1.3
Consensus LogP
1.25
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-2.73

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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