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CAS 15029-40-0 2-CYANO-N-(2-HYDROXYETHYL)-ACETAMIDE molecular structure lightbox
CAS RN: 15029-40-0

2-CYANO-N-(2-HYDROXYETHYL)-ACETAMIDE

  • Product code: SSC-060254
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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 15029-40-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

15029-40-0 / 2-cyano-N-(2-hydroxyethyl)acetamide

Standard CAS: 15029-40-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15029-40-0
Multi CAS
No
Molecular Formula
C5H8N2O2
Molecular Weight
128.130000
Exact Mass
128.058578
SMILES
C(CO)NC(=O)CC#N
InChI
InChI=1S/C5H8N2O2/c6-2-1-5(9)7-3-4-8/h8H,1,3-4H2,(H,7,9)
InChIKey
JBFRGXRQXZOZTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
30.33
TPSA
73.12

LogP / Solubility

WLOGP
-0.99
MLOGP
-0.88
XLogP3
-1.3
Consensus LogP
-1.06
Log S (ESOL)
0.19
Class (ESOL)
Highly soluble
Log S (Ali)
0.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.03
Class (SILICOS-IT)
Very 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)
-4.21

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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