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CAS 35852-81-4 4-Chloro-1-methylpyrazole molecular structure lightbox
CAS RN: 35852-81-4

4-Chloro-1-methylpyrazole

  • Product code: SSC-142915
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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, 5g, 10g, 25g
  • 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 35852-81-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry
10g >95% 0 Out of Stock Hong Kong Inquiry
25g >95% 0 Out of Stock Shanghai Inquiry

35852-81-4 / 4-chloro-1-methylpyrazole

Standard CAS: 35852-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35852-81-4
Multi CAS
No
Molecular Formula
C4H5CLN2
Molecular Weight
116.550000
Exact Mass
116.014126
InChI
InChI=1S/C4H5ClN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
InChIKey
PGNUBDXGTOZIHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
28.22
TPSA
17.82

LogP / Solubility

WLOGP
1.07
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.97
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-2.67

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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