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CAS 119162-50-4 5-AMino-3-(3-fluorophenyl)isoxazole molecular structure lightbox
CAS RN: 119162-50-4

5-AMino-3-(3-fluorophenyl)isoxazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260108 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-019639
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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: 5g, 0.25g, 1g, 0.1g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 119162-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Beijing Inquiry
0.25g >97% 3 In Stock Shanghai Inquiry
1g >97% 3 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
10g >97% 1 In Stock Beijing Inquiry
25g >97% 1 In Stock Shenzhen Inquiry

119162-50-4 / 3-(3-fluorophenyl)-1,2-oxazol-5-amine

5-Amino-3-(3-fluorophenyl)isoxazole | 3-(3-Fluorophenyl)isoxazol-5-amine | 3-(3-fluorophenyl)-1,2-oxazol-5-amine

Standard CAS: 119162-50-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119162-50-4
Multi CAS
Yes
Molecular Formula
C9H7FN2O
Molecular Weight
178.160000
Exact Mass
178.054241
SMILES
C1=CC(=CC(=C1)F)C2=NOC(=C2)N
InChI
InChI=1S/C9H7FN2O/c10-7-3-1-2-6(4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKey
ZPEKGYYUYANHBK-UHFFFAOYSA-N
Synonyms
5-Amino-3-(3-fluorophenyl)isoxazole 3-(3-Fluorophenyl)isoxazol-5-amine 3-(3-fluorophenyl)-1,2-oxazol-5-amine 5-Isoxazolamine, 3-(3-fluorophenyl)- MFCD07787075

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.31
TPSA
52.05

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
1.8
Consensus LogP
1.89
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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