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CAS 7391-40-4 2-Cyano-N,N-dimethylacetamide molecular structure lightbox
CAS RN: 7391-40-4

2-Cyano-N,N-dimethylacetamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250813 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-183344
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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: 10g
  • 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 7391-40-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

7391-40-4 / 2-cyano-N,N-dimethylacetamide

Standard CAS: 7391-40-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7391-40-4
Multi CAS
Yes
Molecular Formula
C5H8N2O
Molecular Weight
112.130000
Exact Mass
112.063663
InChI
InChI=1S/C5H8N2O/c1-7(2)5(8)3-4-6/h3H2,1-2H3
InChIKey
MATJPVGBSAQWAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
28.92
TPSA
44.1

LogP / Solubility

WLOGP
-0.01
MLOGP
-0.02
XLogP3
-0.4
Consensus LogP
-0.14
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very 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)
-3.41

Drug-likeness / Medicinal Chemistry

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

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