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CAS 2304635-54-7 1-(2-Methoxy-1,1-dimethyl-ethyl)pyrazole-4-boronic acid pinacol ester molecular structure lightbox
CAS RN: 2304635-54-7

1-(2-Methoxy-1,1-dimethyl-ethyl)pyrazole-4-boronic acid pinacol ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260515 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: SSC-111941
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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 2304635-54-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2304635-54-7 / 1-(1-methoxy-2-methylpropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

Standard CAS: 2304635-54-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2304635-54-7
Multi CAS
No
Molecular Formula
C14H25BN2O3
Molecular Weight
280.170000
Exact Mass
280.195823
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(C)(C)COC
InChI
InChI=1S/C14H25BN2O3/c1-12(2,10-18-7)17-9-11(8-16-17)15-19-13(3,4)14(5,6)20-15/h8-9H,10H2,1-7H3
InChIKey
KFQLIKUNPJXHSZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.79
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
79.14
TPSA
45.51

LogP / Solubility

WLOGP
1.56
MLOGP
1.39
XLogP3
1.56
Consensus LogP
1.5
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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