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CAS 1009071-34-4 1-Boc-3-Methylpyrazole-4-boronic acid pinacol ester molecular structure lightbox
CAS RN: 1009071-34-4

1-Boc-3-Methylpyrazole-4-boronic acid pinacol ester

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250102 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250902 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250919 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260201 5g In stock Shanghai Inquiry
  • Product code: SSC-001653
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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 1009071-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1009071-34-4 / tert-butyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate

1-Boc-3-methylpyrazole-4-boronic acid pinacol ester | TERT-BUTYL 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-1-CARBOXYLATE | MFCD12407274

Standard CAS: 1009071-34-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1009071-34-4
Multi CAS
Yes
Molecular Formula
C15H25BN2O4
Molecular Weight
308.180000
Exact Mass
308.190737
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2C)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H25BN2O4/c1-10-11(16-21-14(5,6)15(7,8)22-16)9-18(17-10)12(19)20-13(2,3)4/h9H,1-8H3
InChIKey
CQZGWEHXOJJYPA-UHFFFAOYSA-N
Synonyms
1-Boc-3-methylpyrazole-4-boronic acid pinacol ester TERT-BUTYL 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-1-CARBOXYLATE MFCD12407274 tert-butyl 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate tert-butyl 3-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
84.31
TPSA
62.58

LogP / Solubility

WLOGP
2.27
MLOGP
2.01
XLogP3
2.27
Consensus LogP
2.18
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

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
2.5

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