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CAS 891660-66-5 oxazol-2-ylboronic acid molecular structure lightbox
CAS RN: 891660-66-5

oxazol-2-ylboronic acid

  • Product code: SSC-201016
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 891660-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

891660-66-5 / 1,3-oxazol-2-ylboronic acid

Standard CAS: 891660-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
891660-66-5
Multi CAS
No
Molecular Formula
BC3H4NO3
Molecular Weight
112.880000
Exact Mass
113.028423
InChI
InChI=1S/C3H4BNO3/c6-4(7)3-5-1-2-8-3/h1-2,6-7H
InChIKey
NRBQYBDDNGRAOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
26.33
TPSA
66.49

LogP / Solubility

WLOGP
-1.65
MLOGP
-1.46
XLogP3
-1.65
Consensus LogP
-1.59
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
0.7
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.85
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)
-4.58

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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