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CAS 1463055-84-6 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carbonitrile molecular structure lightbox
CAS RN: 1463055-84-6

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carbonitrile

  • Product code: SSC-057385
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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 1463055-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1463055-84-6 / 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carbonitrile

Standard CAS: 1463055-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1463055-84-6
Multi CAS
No
Molecular Formula
C14H16BN3O2
Molecular Weight
269.110000
Exact Mass
269.133557
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3C#N
InChI
InChI=1S/C14H16BN3O2/c1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(8-16)18-17-11/h5-7H,1-4H3,(H,17,18)
InChIKey
ZFCDHGUCGBYZBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.52
TPSA
70.93

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
1.73
Consensus LogP
1.66
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13

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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