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CAS 89238-99-3 4-Methoxybenzyl 2,2,2-Trichloroacetimidate molecular structure lightbox
CAS RN: 89238-99-3

4-Methoxybenzyl 2,2,2-Trichloroacetimidate

  • Product code: SSC-201119
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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: 5g, 10g, 25g, 1g, 100g
  • Available purity: >96%
  • Inventory rows with stock: 5
  • 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 89238-99-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >96% 5 In Stock Shenzhen Inquiry
10g >96% 5 In Stock Beijing Inquiry
25g >96% 5 In Stock Shenzhen Inquiry
1g >96% 3 In Stock Shanghai Inquiry
100g >96% 1 In Stock Shanghai Inquiry

89238-99-3 / (4-methoxyphenyl)methyl 2,2,2-trichloroethanimidate

Standard CAS: 89238-99-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89238-99-3
Multi CAS
Yes
Molecular Formula
C10H10CL3NO2
Molecular Weight
282.500000
Exact Mass
280.977712
InChI
InChI=1S/C10H10Cl3NO2/c1-15-8-4-2-7(3-5-8)6-16-9(14)10(11,12)13/h2-5,14H,6H2,1H3
InChIKey
TYHGKLBJBHACOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.8
TPSA
42.31

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
3.5
Consensus LogP
3.4
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

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

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