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CAS 5468-76-8 2,2-dichloro-N,N-dimethylacetamide molecular structure lightbox
CAS RN: 5468-76-8

2,2-dichloro-N,N-dimethylacetamide

  • Product code: SSC-162487
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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 5468-76-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

5468-76-8 / 2,2-dichloro-N,N-dimethylacetamide

Standard CAS: 5468-76-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5468-76-8
Multi CAS
Yes
Molecular Formula
C4H7CL2NO
Molecular Weight
156.010000
Exact Mass
154.990469
InChI
InChI=1S/C4H7Cl2NO/c1-7(2)4(8)3(5)6/h3H,1-2H3
InChIKey
UOMXIKXHYRRODT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
34.19
TPSA
20.31

LogP / Solubility

WLOGP
0.88
MLOGP
0.77
XLogP3
1.1
Consensus LogP
0.92
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.05

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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