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CAS 885068-10-0 6-INDAZOLYBORONIC ACID molecular structure lightbox
CAS RN: 885068-10-0

6-INDAZOLYBORONIC ACID

  • Product code: SSC-199223
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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: 0.25g, 1g, 5g, 10g, 25g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 885068-10-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g -- 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g -- 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

885068-10-0 / 1H-indazol-6-ylboronic acid

Standard CAS: 885068-10-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885068-10-0
Multi CAS
Yes
Molecular Formula
BC7H7N2O2
Molecular Weight
161.960000
Exact Mass
162.060058
InChI
InChI=1S/C7H7BN2O2/c11-8(12)6-2-1-5-4-9-10-7(5)3-6/h1-4,11-12H,(H,9,10)
InChIKey
ZKNLCHWRWRYPGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
45.92
TPSA
69.14

LogP / Solubility

WLOGP
-0.76
MLOGP
-0.67
XLogP3
-0.76
Consensus LogP
-0.73
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.25

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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