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CAS 98025-59-3 2-azido-N-methylacetamide(SALTDATA: FREE) molecular structure lightbox
CAS RN: 98025-59-3

2-azido-N-methylacetamide(SALTDATA: FREE)

  • Product code: SSC-212503
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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 98025-59-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

98025-59-3 / 2-azido-N-methylacetamide

Standard CAS: 98025-59-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
98025-59-3
Multi CAS
No
Molecular Formula
C3H6N4O
Molecular Weight
114.110000
Exact Mass
114.054161
InChI
InChI=1S/C3H6N4O/c1-5-3(8)2-6-7-4/h2H2,1H3,(H,5,8)
InChIKey
AKGIDMWPOLTCLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.08
TPSA
77.86

LogP / Solubility

WLOGP
0.04
MLOGP
0.03
XLogP3
0.6
Consensus LogP
0.22
Log S (ESOL)
-0.44
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
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)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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