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CAS 1356578-38-5 6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)IMIDAZO[1,2-B]PYRIDAZINE molecular structure lightbox
CAS RN: 1356578-38-5

6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)IMIDAZO[1,2-B]PYRIDAZINE

  • Product code: SSC-044215
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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 1356578-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry

1356578-38-5 / 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-b]pyridazine

Standard CAS: 1356578-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1356578-38-5
Multi CAS
No
Molecular Formula
C12H16BN3O2
Molecular Weight
245.090000
Exact Mass
245.133557
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN3C=CN=C3C=C2
InChI
InChI=1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)9-5-6-10-14-7-8-16(10)15-9/h5-8H,1-4H3
InChIKey
VZFBCTYFSMFHSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
68.7
TPSA
48.65

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
1.03
Consensus LogP
0.99
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-3.48

Drug-likeness / Medicinal Chemistry

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

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