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CAS 942922-07-8 2-(4-METHYLPIPERAZIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 942922-07-8

2-(4-METHYLPIPERAZIN-1-YL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER

  • Product code: SSC-208959
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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, 5g
  • Available purity: ＞97%
  • 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 942922-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

942922-07-8 / 2-(4-methylpiperazin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

Standard CAS: 942922-07-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
942922-07-8
Multi CAS
Yes
Molecular Formula
BC15H25N4O2
Molecular Weight
304.200000
Exact Mass
304.207056
InChI
InChI=1S/C15H25BN4O2/c1-14(2)15(3,4)22-16(21-14)12-10-17-13(18-11-12)20-8-6-19(5)7-9-20/h10-11H,6-9H2,1-5H3
InChIKey
LGIDGOSYDQTQDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
87.46
TPSA
50.72

LogP / Solubility

WLOGP
0.53
MLOGP
0.48
XLogP3
0.53
Consensus LogP
0.51
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-4.2

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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