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CAS 59881-63-9 N-(4,6-Dichloro-1,3,5-triazin-2-yl)acetamide molecular structure lightbox
CAS RN: 59881-63-9

N-(4,6-Dichloro-1,3,5-triazin-2-yl)acetamide

  • Product code: SSC-168453
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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: 0.05g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 59881-63-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 1 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

59881-63-9 / N-(4,6-dichloro-1,3,5-triazin-2-yl)acetamide

Standard CAS: 59881-63-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59881-63-9
Multi CAS
No
Molecular Formula
C5H4CL2N4O
Molecular Weight
207.010000
Exact Mass
205.976216
InChI
InChI=1S/C5H4Cl2N4O/c1-2(12)8-5-10-3(6)9-4(7)11-5/h1H3,(H,8,9,10,11,12)
InChIKey
XEBNHODPHVYMQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.15
TPSA
67.77

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
1.4
Consensus LogP
1.18
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
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)
-3.18

Drug-likeness / Medicinal Chemistry

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

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