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CAS 631-66-3 pyruvamide molecular structure lightbox
CAS RN: 631-66-3

pyruvamide

  • Product code: SSC-172649
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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: ＞97%
  • 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 631-66-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

631-66-3 / 2-oxopropanamide

Standard CAS: 631-66-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
631-66-3
Multi CAS
Yes
Molecular Formula
C3H5NO2
Molecular Weight
87.080000
Exact Mass
87.032028
InChI
InChI=1S/C3H5NO2/c1-2(5)3(4)6/h1H3,(H2,4,6)
InChIKey
FPOLWERNILTNDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
19.88
TPSA
60.16

LogP / Solubility

WLOGP
-0.94
MLOGP
-0.84
XLogP3
-1
Consensus LogP
-0.93
Log S (ESOL)
0.28
Class (ESOL)
Highly soluble
Log S (Ali)
0.4
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.43
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.92

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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