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CAS 1374263-88-3 (3H-iMidazo[4,5-b]pyridin-6-yl)boronic acid molecular structure lightbox
CAS RN: 1374263-88-3

(3H-iMidazo[4,5-b]pyridin-6-yl)boronic acid

  • Product code: SSC-046980
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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: 6
  • 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 1374263-88-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Beijing Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry

1374263-88-3 / 1H-imidazo[4,5-b]pyridin-6-ylboronic acid

Standard CAS: 1374263-88-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1374263-88-3
Multi CAS
No
Molecular Formula
C6H6BN3O2
Molecular Weight
162.940000
Exact Mass
163.055307
SMILES
B(C1=CC2=C(N=C1)N=CN2)(O)O
InChI
InChI=1S/C6H6BN3O2/c11-7(12)4-1-5-6(8-2-4)10-3-9-5/h1-3,11-12H,(H,8,9,10)
InChIKey
JAZQDXGXSCOWEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
43.71
TPSA
82.03

LogP / Solubility

WLOGP
-1.36
MLOGP
-1.2
XLogP3
-1.36
Consensus LogP
-1.31
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
0.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.29
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.68

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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