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CAS 517870-15-4 METHYL 5-(4-BROMOPHENYL)ISOXAZOLE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 517870-15-4

METHYL 5-(4-BROMOPHENYL)ISOXAZOLE-3-CARBOXYLATE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 100g In stock Shanghai Inquiry
Batchno.20250630 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250603 25g In stock Shanghai Inquiry
Batchno.20260117 5g In stock Shanghai Inquiry
  • Product code: SSC-158737
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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, 25g, 10g
  • 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 517870-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry

517870-15-4 / methyl 5-(4-bromophenyl)-1,2-oxazole-3-carboxylate

Standard CAS: 517870-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
517870-15-4
Multi CAS
No
Molecular Formula
BC11H8O3Rn
Molecular Weight
282.090000
Exact Mass
280.968760
InChI
InChI=1S/C11H8BrNO3/c1-15-11(14)9-6-10(16-13-9)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKey
QDMKBPFKVHCOEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.98
TPSA
52.33

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.9
Consensus LogP
2.78
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly 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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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