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CAS 1160615-37-1 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-boronic acid pinacol ester molecular structure lightbox
CAS RN: 1160615-37-1

4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-boronic acid pinacol ester

  • Product code: SSC-016181
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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: >90%
  • 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 1160615-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >90% 0 Out of Stock Shanghai Inquiry

1160615-37-1 / 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine | MFCD18383292 | SCHEMBL25415447

Standard CAS: 1160615-37-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1160615-37-1
Multi CAS
Yes
Molecular Formula
C13H21BN2O2
Molecular Weight
248.130000
Exact Mass
248.169608
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN3CCCCC3=C2
InChI
InChI=1S/C13H21BN2O2/c1-12(2)13(3,4)18-14(17-12)11-9-10-7-5-6-8-16(10)15-11/h9H,5-8H2,1-4H3
InChIKey
WMMWEFONFGNWTC-UHFFFAOYSA-N
Synonyms
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine MFCD18383292 SCHEMBL25415447 SY279761 DB-411814

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.77
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
70.88
TPSA
36.28

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.52
Consensus LogP
1.46
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-3.16

Drug-likeness / Medicinal Chemistry

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

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