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CAS 108655-63-6 5-Isoxazolamine,3-(trifluoromethyl)-(9CI) molecular structure lightbox
CAS RN: 108655-63-6

5-Isoxazolamine,3-(trifluoromethyl)-(9CI)

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250127 100mg In stock Shanghai Inquiry
Batchno.20250408 10g In stock Shanghai Inquiry
Batchno.20260301 1g In stock Shanghai Inquiry
Batchno.20260413 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250607 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-009964
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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: 5g
  • 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 108655-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

108655-63-6 / 3-(trifluoromethyl)-1,2-oxazol-5-amine

3-(trifluoromethyl)-1,2-oxazol-5-amine | DTXSID20552415 | RefChem:276046

Standard CAS: 108655-63-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108655-63-6
Multi CAS
Yes
Molecular Formula
C4H3F3N2O
Molecular Weight
152.070000
Exact Mass
152.019747
SMILES
C1=C(ON=C1C(F)(F)F)N
InChI
InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-3(8)10-9-2/h1H,8H2
InChIKey
PAYOWUGPXPPRPB-UHFFFAOYSA-N
Synonyms
3-(trifluoromethyl)-1,2-oxazol-5-amine DTXSID20552415 RefChem:276046 DTXCID10503198 840-090-6

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
25.92
TPSA
52.05

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
0.9
Consensus LogP
1.1
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
Class (SILICOS-IT)
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)
-2.74

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] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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