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CAS 1339890-99-1 1-(3-Oxetanyl)-1H-pyrazole-4-boronic acid pinacol ester molecular structure lightbox
CAS RN: 1339890-99-1

1-(3-Oxetanyl)-1H-pyrazole-4-boronic acid pinacol ester

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250912 100mg In stock Shanghai Inquiry
Batchno.20260228 10g In stock Shanghai Inquiry
Batchno.20250118 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260105 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260626 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-041157
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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, 1g, 5g, 0.25g, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • 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 1339890-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 3 In Stock Shenzhen Inquiry
1g >98% 2 In Stock Hong Kong Inquiry
5g >98% 2 In Stock Beijing Inquiry
0.25g >98% 1 In Stock Shanghai Inquiry
10g >98% 1 In Stock Shenzhen Inquiry
25g >98% 1 In Stock Beijing Inquiry

1339890-99-1 / 1-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

Standard CAS: 1339890-99-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1339890-99-1
Multi CAS
No
Molecular Formula
C12H19BN2O3
Molecular Weight
250.100000
Exact Mass
250.148873
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3COC3
InChI
InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)9-5-14-15(6-9)10-7-16-8-10/h5-6,10H,7-8H2,1-4H3
InChIKey
KIYMAKQVFHPNGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
67.8
TPSA
45.51

LogP / Solubility

WLOGP
0.75
MLOGP
0.67
XLogP3
0.75
Consensus LogP
0.72
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-3.71

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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