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CAS 138907-73-0 ethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate molecular structure lightbox
CAS RN: 138907-73-0

ethyl 1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250116 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-049048
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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 138907-73-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

138907-73-0 / ethyl 1-(4-fluorophenyl)pyrazole-4-carboxylate

Standard CAS: 138907-73-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138907-73-0
Multi CAS
No
Molecular Formula
C12H11FN2O2
Molecular Weight
234.230000
Exact Mass
234.080456
SMILES
CCOC(=O)C1=CN(N=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H11FN2O2/c1-2-17-12(16)9-7-14-15(8-9)11-5-3-10(13)4-6-11/h3-8H,2H2,1H3
InChIKey
MEUROLLIWZOVNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
59.48
TPSA
44.12

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.6

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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