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CAS 2096338-64-4 2-Ethoxythiazole-5-boronic acid pinacol ester molecular structure lightbox
CAS RN: 2096338-64-4

2-Ethoxythiazole-5-boronic acid pinacol ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251203 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-099428
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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: ≥97%
  • 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 2096338-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

2096338-64-4 / 2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

Standard CAS: 2096338-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2096338-64-4
Multi CAS
No
Molecular Formula
C11H18BNO3S
Molecular Weight
255.150000
Exact Mass
255.110045
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(S2)OCC
InChI
InChI=1S/C11H18BNO3S/c1-6-14-9-13-7-8(17-9)12-15-10(2,3)11(4,5)16-12/h7H,6H2,1-5H3
InChIKey
ZJDLTULUXZIPOB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
69
TPSA
40.58

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
1.84
Consensus LogP
1.77
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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)
-2.97

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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