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CAS 1373834-76-4 4-Cyano-1H-indole-2-boronic acid molecular structure lightbox
CAS RN: 1373834-76-4

4-Cyano-1H-indole-2-boronic acid

  • Product code: SSC-046915
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1373834-76-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shenzhen Inquiry

1373834-76-4 / (4-cyano-1H-indol-2-yl)boronic acid

Standard CAS: 1373834-76-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1373834-76-4
Multi CAS
No
Molecular Formula
C9H7BN2O2
Molecular Weight
185.980000
Exact Mass
186.060058
SMILES
B(C1=CC2=C(C=CC=C2N1)C#N)(O)O
InChI
InChI=1S/C9H7BN2O2/c11-5-6-2-1-3-8-7(6)4-9(12-8)10(13)14/h1-4,12-14H
InChIKey
OZSNUKMZQSLIDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
52.84
TPSA
80.04

LogP / Solubility

WLOGP
-0.28
MLOGP
-0.25
XLogP3
-0.28
Consensus LogP
-0.27
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05

Drug-likeness / Medicinal Chemistry

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

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