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CAS 119162-51-5 5-AMino-3-(2-broMophenyl)isoxazole molecular structure lightbox
CAS RN: 119162-51-5

5-AMino-3-(2-broMophenyl)isoxazole

  • Product code: SSC-019640
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 119162-51-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

119162-51-5 / 3-(2-bromophenyl)-1,2-oxazol-5-amine

3-(2-bromophenyl)-1,2-oxazol-5-amine | RefChem:490723 | 877-535-9

Standard CAS: 119162-51-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119162-51-5
Multi CAS
No
Molecular Formula
C9H7BrN2O
Molecular Weight
239.070000
Exact Mass
237.974180
SMILES
C1=CC=C(C(=C1)C2=NOC(=C2)N)Br
InChI
InChI=1S/C9H7BrN2O/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8/h1-5H,11H2
InChIKey
IWZPUSFAARHNRW-UHFFFAOYSA-N
Synonyms
3-(2-bromophenyl)-1,2-oxazol-5-amine RefChem:490723 877-535-9 5-Amino-3-(2-bromophenyl)isoxazole 3-(2-Bromophenyl)isoxazol-5-amine

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
54.05
TPSA
52.05

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.4
Consensus LogP
2.49
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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

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