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CAS 1342382-45-9 2-fluoro-5-(1-methyl-1H-pyrazol-5-yl)benzoic acid molecular structure lightbox
CAS RN: 1342382-45-9

2-fluoro-5-(1-methyl-1H-pyrazol-5-yl)benzoic acid

  • Product code: SSC-041722
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1342382-45-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry

1342382-45-9 / 2-fluoro-5-(2-methylpyrazol-3-yl)benzoic acid

Standard CAS: 1342382-45-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1342382-45-9
Multi CAS
No
Molecular Formula
C11H9FN2O2
Molecular Weight
220.200000
Exact Mass
220.064806
SMILES
CN1C(=CC=N1)C2=CC(=C(C=C2)F)C(=O)O
InChI
InChI=1S/C11H9FN2O2/c1-14-10(4-5-13-14)7-2-3-9(12)8(6-7)11(15)16/h2-6H,1H3,(H,15,16)
InChIKey
YPWUXEVQWHKMPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.56
TPSA
55.12

LogP / Solubility

WLOGP
1.92
MLOGP
1.7
XLogP3
1.5
Consensus LogP
1.71
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

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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