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CAS 101084-19-9 Isoxazole, 4-bromo-3-methyl- (6CI) molecular structure lightbox
CAS RN: 101084-19-9

Isoxazole, 4-bromo-3-methyl- (6CI)

  • Product code: SSC-001942
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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, 5g, 0.25g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 101084-19-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry

101084-19-9 / 4-bromo-3-methyl-1,2-oxazole

4-bromo-3-methyl-1,2-oxazole | RefChem:519986 | 889-390-9

Standard CAS: 101084-19-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101084-19-9
Multi CAS
No
Molecular Formula
C4H4BrNO
Molecular Weight
161.980000
Exact Mass
160.947630
SMILES
CC1=NOC=C1Br
InChI
InChI=1S/C4H4BrNO/c1-3-4(5)2-7-6-3/h2H,1H3
InChIKey
NXUGSYBTPQHKQB-UHFFFAOYSA-N
Synonyms
4-bromo-3-methyl-1,2-oxazole RefChem:519986 889-390-9 4-Bromo-3-methylisoxazole Isoxazole, 4-bromo-3-methyl- (6CI)

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
28.94
TPSA
26.03

LogP / Solubility

WLOGP
1.75
MLOGP
1.53
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately 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)
-2.47

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)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] 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
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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