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CAS 85605-94-3 Methyl 4-fluoro-1H-pyrazole-3-carboxylate molecular structure lightbox
CAS RN: 85605-94-3

Methyl 4-fluoro-1H-pyrazole-3-carboxylate

  • Product code: SSC-194070
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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: 0.1g, 0.25g, 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 85605-94-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry
0.25g >95% 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

85605-94-3 / methyl 4-fluoro-1H-pyrazole-5-carboxylate

Standard CAS: 85605-94-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
85605-94-3
Multi CAS
No
Molecular Formula
C5FH5N2O2
Molecular Weight
144.100000
Exact Mass
144.033506
InChI
InChI=1S/C5H5FN2O2/c1-10-5(9)4-3(6)2-7-8-4/h2H,1H3,(H,7,8)
InChIKey
SQWUFARRBCUQFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
29.89
TPSA
54.98

LogP / Solubility

WLOGP
0.34
MLOGP
0.29
XLogP3
0.5
Consensus LogP
0.38
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
Very 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)
-3.36

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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