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CAS 1188032-12-3 5-(3-fluorophenyl)isoxazole-3-carboxylic acid molecular structure lightbox
CAS RN: 1188032-12-3

5-(3-fluorophenyl)isoxazole-3-carboxylic acid

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260214 10g Out of stock Inquiry
Batchno.20260415 1g Out of stock Inquiry
Batchno.20260610 1g Out of stock 8-10 business days Inquiry
Batchno.20260319 5g Out of stock Inquiry
  • Product code: SSC-018918
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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 1188032-12-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1188032-12-3 / 5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid

5-(3-Fluorophenyl)isoxazole-3-carboxylic acid | 5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid | MFCD11110954

Standard CAS: 1188032-12-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1188032-12-3
Multi CAS
No
Molecular Formula
C10H6FNO3
Molecular Weight
207.160000
Exact Mass
207.033171
SMILES
C1=CC(=CC(=C1)F)C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C10H6FNO3/c11-7-3-1-2-6(4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
InChIKey
UDWKAAPHEXGBGV-UHFFFAOYSA-N
Synonyms
5-(3-Fluorophenyl)isoxazole-3-carboxylic acid 5-(3-fluorophenyl)-1,2-oxazole-3-carboxylic acid MFCD11110954 5-(3-Fluorophenyl)-3-isoxazolecarboxylic Acid 5-(3-fluoro-phenyl)-isoxazole-3-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.86
TPSA
63.33

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2
Consensus LogP
2.03
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.44

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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