[email protected]
CAS 894807-98-8 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole molecular structure lightbox
CAS RN: 894807-98-8

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole

  • Product code: SSC-201455
GET A QUOTE
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: 1g, 5g, 10g, 0.1g, 25g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 894807-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Beijing Inquiry
0.1g >95% 3 In Stock Shanghai Inquiry
25g >95% 3 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Beijing Inquiry

894807-98-8 / trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl]silane

Standard CAS: 894807-98-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
894807-98-8
Multi CAS
No
Molecular Formula
BC15H29N2O3Si
Molecular Weight
324.300000
Exact Mass
324.204050
InChI
InChI=1S/C15H29BN2O3Si/c1-14(2)15(3,4)21-16(20-14)13-10-17-18(11-13)12-19-8-9-22(5,6)7/h10-11H,8-9,12H2,1-7H3
InChIKey
FERKWUXUTFCIFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.8
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
92.05
TPSA
45.51

LogP / Solubility

WLOGP
2.49
MLOGP
2.21
XLogP3
2.49
Consensus LogP
2.4
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

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

Customers Also Viewed

Get In Touch

Contact Us