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CAS 105174-97-8 Ethyl 3-bromoisoxazole-5-carboxylate molecular structure lightbox
CAS RN: 105174-97-8

Ethyl 3-bromoisoxazole-5-carboxylate

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12 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250510 100g Out of stock Inquiry
Batchno.20260209 1g In stock Inquiry
Batchno.20250319 250mg In stock Inquiry
Batchno.20250320 25g In stock Inquiry
Batchno.20250623 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 100g Out of stock Inquiry
Batchno.20260129 10g In stock Shanghai, Chengdu Inquiry
Batchno.20250523 1g In stock Shanghai Inquiry
Batchno.20250920 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250623 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251222 25g In stock Chengdu Inquiry
Batchno.20250509 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-006898
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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: 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 105174-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 5 In Stock Hong Kong Inquiry
1g >98% 2 In Stock Beijing Inquiry
5g >98% 2 In Stock Hong Kong Inquiry
10g >98% 2 In Stock Shenzhen Inquiry
25g >98% 1 In Stock Beijing Inquiry

105174-97-8 / ethyl 3-bromo-1,2-oxazole-5-carboxylate

Ethyl 3-bromoisoxazole-5-carboxylate | RefChem:594910 | 821-337-7

Standard CAS: 105174-97-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105174-97-8
Multi CAS
No
Molecular Formula
C6H6BrNO3
Molecular Weight
220.020000
Exact Mass
218.953110
SMILES
CCOC(=O)C1=CC(=NO1)Br
InChI
InChI=1S/C6H6BrNO3/c1-2-10-6(9)4-3-5(7)8-11-4/h3H,2H2,1H3
InChIKey
BLFWSORQDIUISI-UHFFFAOYSA-N
Synonyms
Ethyl 3-bromoisoxazole-5-carboxylate RefChem:594910 821-337-7 Ethyl 3-Bromo-1,2-Oxazole-5-Carboxylate 3-Bromo-isoxazole-5-carboxylic acid ethyl ester

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
40.16
TPSA
52.33

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.9
Consensus LogP
1.64
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.92

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 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): 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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