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CAS 947249-08-3 AcetaMide, N-[6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)iMidazo[1,2-a]pyridin-2-yl]- molecular structure lightbox
CAS RN: 947249-08-3

AcetaMide, N-[6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)iMidazo[1,2-a]pyridin-2-yl]-

  • Product code: SSC-209888
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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 947249-08-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

947249-08-3 / N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-2-yl]acetamide

Standard CAS: 947249-08-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
947249-08-3
Multi CAS
Yes
Molecular Formula
BC15H20N3O3
Molecular Weight
301.150000
Exact Mass
301.159772
InChI
InChI=1S/C15H20BN3O3/c1-10(20)17-12-9-19-8-11(6-7-13(19)18-12)16-21-14(2,3)15(4,5)22-16/h6-9H,1-5H3,(H,17,20)
InChIKey
GSUDYXDJOWHVCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
85.21
TPSA
64.86

LogP / Solubility

WLOGP
1.59
MLOGP
1.41
XLogP3
1.59
Consensus LogP
1.53
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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