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CAS 220299-49-0 1H-Pyrazole, 4-iodo-1-[[2-(triMethylsilyl)ethoxy]Methyl]- molecular structure lightbox
CAS RN: 220299-49-0

1H-Pyrazole, 4-iodo-1-[[2-(triMethylsilyl)ethoxy]Methyl]-

  • Product code: SSC-105966
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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, 5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 220299-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry

220299-49-0 / 2-[(4-iodopyrazol-1-yl)methoxy]ethyl-trimethylsilane

Standard CAS: 220299-49-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220299-49-0
Multi CAS
No
Molecular Formula
C9H17IN2OSi
Molecular Weight
324.230000
Exact Mass
324.015490
SMILES
C[Si](C)(C)CCOCN1C=C(C=N1)I
InChI
InChI=1S/C9H17IN2OSi/c1-14(2,3)5-4-13-8-12-7-9(10)6-11-12/h6-7H,4-5,8H2,1-3H3
InChIKey
YJDGPUCAPUOFQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
69.05
TPSA
27.05

LogP / Solubility

WLOGP
2.8
MLOGP
2.48
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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)
-2.71

Drug-likeness / Medicinal Chemistry

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

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