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CAS 89677-16-7 1-METHYL-2-PYRROLIDINONE-4-CARBOXAMIDE molecular structure lightbox
CAS RN: 89677-16-7

1-METHYL-2-PYRROLIDINONE-4-CARBOXAMIDE

  • Product code: SSC-201721
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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: 5g
  • 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 89677-16-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

89677-16-7 / 1-methyl-5-oxopyrrolidine-3-carboxamide

Standard CAS: 89677-16-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89677-16-7
Multi CAS
No
Molecular Formula
C6H10N2O2
Molecular Weight
142.160000
Exact Mass
142.074228
InChI
InChI=1S/C6H10N2O2/c1-8-3-4(6(7)10)2-5(8)9/h4H,2-3H2,1H3,(H2,7,10)
InChIKey
XDNQKOAFGDBANV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.94
TPSA
63.4

LogP / Solubility

WLOGP
-1.05
MLOGP
-0.93
XLogP3
-1.7
Consensus LogP
-1.23
Log S (ESOL)
0.01
Class (ESOL)
Highly soluble
Log S (Ali)
0.03
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.17
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)
-4.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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