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CAS 34891-76-4 N-HYDROXYMETHYLTRICHLOROACETAMIDE molecular structure lightbox
CAS RN: 34891-76-4

N-HYDROXYMETHYLTRICHLOROACETAMIDE

  • Product code: SSC-141554
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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
  • 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 34891-76-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

34891-76-4 / 2,2,2-trichloro-N-(hydroxymethyl)acetamide

Standard CAS: 34891-76-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34891-76-4
Multi CAS
No
Molecular Formula
C3H4CL3NO2
Molecular Weight
192.420000
Exact Mass
190.930761
InChI
InChI=1S/C3H4Cl3NO2/c4-3(5,6)2(9)7-1-8/h8H,1H2,(H,7,9)
InChIKey
VDGDOWDNOPBCRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.52
TPSA
49.33

LogP / Solubility

WLOGP
0.42
MLOGP
0.37
XLogP3
0.8
Consensus LogP
0.53
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-3.59

Drug-likeness / Medicinal Chemistry

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

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