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CAS 930596-20-6 N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole-1-acetamide molecular structure lightbox
CAS RN: 930596-20-6

N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole-1-acetamide

  • Product code: SSC-207068
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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: 0.25g
  • 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 930596-20-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

930596-20-6 / N,N-dimethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetamide

Standard CAS: 930596-20-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
930596-20-6
Multi CAS
Yes
Molecular Formula
BC13H22N3O3
Molecular Weight
279.150000
Exact Mass
279.175422
InChI
InChI=1S/C13H22BN3O3/c1-12(2)13(3,4)20-14(19-12)10-7-15-17(8-10)9-11(18)16(5)6/h7-8H,9H2,1-6H3
InChIKey
RVZZYZZVSAPLOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
76.64
TPSA
56.59

LogP / Solubility

WLOGP
0.27
MLOGP
0.25
XLogP3
0.27
Consensus LogP
0.26
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-4.23

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
1.5

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