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CAS 1426154-41-7 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole molecular structure lightbox
CAS RN: 1426154-41-7

5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

  • Product code: SSC-053407
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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 1426154-41-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1426154-41-7 / 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

Standard CAS: 1426154-41-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1426154-41-7
Multi CAS
No
Molecular Formula
C15H20BNO2
Molecular Weight
257.140000
Exact Mass
257.158709
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC3=C2C=CN3)C
InChI
InChI=1S/C15H20BNO2/c1-10-6-7-12-11(8-9-17-12)13(10)16-18-14(2,3)15(4,5)19-16/h6-9,17H,1-5H3
InChIKey
YWRMIXQQHTZMDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.75
TPSA
34.25

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.78
Consensus LogP
2.67
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

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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