[email protected]
CAS 110234-43-0 3-Isoxazolamine,5-(trifluoromethyl)-(9CI) molecular structure lightbox
CAS RN: 110234-43-0

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

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251003 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260113 1g In stock Shanghai Inquiry
Batchno.20250106 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251115 5g In stock Shanghai Inquiry
  • Product code: SSC-011404
GET A QUOTE
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
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 110234-43-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 1 In Stock Beijing Inquiry
0.25g ≥98% 0 Out of Stock Hong Kong Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

110234-43-0 / 5-(trifluoromethyl)-1,2-oxazol-3-amine

5-(Trifluoromethyl)isoxazol-3-ylamine | RefChem:531790 | 894-351-4

Standard CAS: 110234-43-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110234-43-0
Multi CAS
Yes
Molecular Formula
C4H3F3N2O
Molecular Weight
152.070000
Exact Mass
152.019747
SMILES
C1=C(ON=C1N)C(F)(F)F
InChI
InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-3(8)9-10-2/h1H,(H2,8,9)
InChIKey
LNZJPSYNGYFWKE-UHFFFAOYSA-N
Synonyms
5-(Trifluoromethyl)isoxazol-3-ylamine RefChem:531790 894-351-4 5-(TRIFLUOROMETHYL)ISOXAZOL-3-AMINE 5-TRIFLUOROMETHYL-ISOXAZOL-3-YLAMINE

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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us