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CAS 2090-18-8 N,N’-dimethylmalonamide molecular structure lightbox
CAS RN: 2090-18-8

N,N’-dimethylmalonamide

  • Product code: SSC-098428
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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: 0.25g
  • 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 2090-18-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

2090-18-8 / N,N'-dimethylpropanediamide

Standard CAS: 2090-18-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2090-18-8
Multi CAS
No
Molecular Formula
C5H10N2O2
Molecular Weight
130.150000
Exact Mass
130.074228
SMILES
CNC(=O)CC(=O)NC
InChI
InChI=1S/C5H10N2O2/c1-6-4(8)3-5(9)7-2/h3H2,1-2H3,(H,6,8)(H,7,9)
InChIKey
ZWXJWAPTSTYSAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.75
TPSA
58.2

LogP / Solubility

WLOGP
-1.13
MLOGP
-1
XLogP3
-1
Consensus LogP
-1.04
Log S (ESOL)
0.2
Class (ESOL)
Highly soluble
Log S (Ali)
0.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.19
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.32

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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