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CAS 1224884-06-3 3-Methylisoxazol-4-yl Boronic Acid molecular structure lightbox
CAS RN: 1224884-06-3

3-Methylisoxazol-4-yl Boronic Acid

  • Product code: SSC-025420
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • 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 1224884-06-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry

1224884-06-3 / (3-methyl-1,2-oxazol-4-yl)boronic acid

Standard CAS: 1224884-06-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1224884-06-3
Multi CAS
No
Molecular Formula
C4H6BNO3
Molecular Weight
126.910000
Exact Mass
127.044073
SMILES
B(C1=CON=C1C)(O)O
InChI
InChI=1S/C4H6BNO3/c1-3-4(5(7)8)2-9-6-3/h2,7-8H,1H3
InChIKey
AAEGXJZTOOPPFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
31.07
TPSA
66.49

LogP / Solubility

WLOGP
-1.34
MLOGP
-1.19
XLogP3
-1.34
Consensus LogP
-1.29
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
0.36
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.5
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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