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CAS 1283179-55-4 2-Cyclopropyl-thiazole-4-boronic acid pinacol ester molecular structure lightbox
CAS RN: 1283179-55-4

2-Cyclopropyl-thiazole-4-boronic acid pinacol ester

  • Product code: SSC-035632
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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: 0.1g, 0.25g
  • 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 1283179-55-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1283179-55-4 / 2-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

Standard CAS: 1283179-55-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1283179-55-4
Multi CAS
No
Molecular Formula
C12H18BNO2S
Molecular Weight
251.160000
Exact Mass
251.115130
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CSC(=N2)C3CC3
InChI
InChI=1S/C12H18BNO2S/c1-11(2)12(3,4)16-13(15-11)9-7-17-10(14-9)8-5-6-8/h7-8H,5-6H2,1-4H3
InChIKey
RSJUPZNMQAPYEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
69.81
TPSA
31.35

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
2.32
Consensus LogP
2.23
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly 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)
-2.61

Drug-likeness / Medicinal Chemistry

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

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