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CAS 1402232-68-1 2-(3-Fluoropyridin-2-yl)-2-methylpropanoic acid molecular structure lightbox
CAS RN: 1402232-68-1

2-(3-Fluoropyridin-2-yl)-2-methylpropanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250430 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-050735
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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 1402232-68-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1402232-68-1 / 2-(3-fluoro-2-pyridinyl)-2-methylpropanoic acid

Standard CAS: 1402232-68-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1402232-68-1
Multi CAS
No
Molecular Formula
C9H10FNO2
Molecular Weight
183.180000
Exact Mass
183.069557
SMILES
CC(C)(C1=C(C=CC=N1)F)C(=O)O
InChI
InChI=1S/C9H10FNO2/c1-9(2,8(12)13)7-6(10)4-3-5-11-7/h3-5H,1-2H3,(H,12,13)
InChIKey
KZCNIODWPYKFNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.86
TPSA
50.19

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.4
Consensus LogP
1.46
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately 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)
-2.71

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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