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CAS 628-94-4 Adipamide molecular structure lightbox
CAS RN: 628-94-4

Adipamide

  • Product code: SSC-172147
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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: 25g
  • 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 628-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

628-94-4 / hexanediamide

Standard CAS: 628-94-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
628-94-4
Multi CAS
Yes
Molecular Formula
C6H12N2O2
Molecular Weight
144.170000
Exact Mass
144.089878
InChI
InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
InChIKey
GVNWZKBFMFUVNX-UHFFFAOYSA-N

Physical Properties

Melting Point
428 °F (NTP, 1992) 220 °C
Physical Description
Adipamide is a colorless powder. (NTP, 1992) Colorless solid; [CAMEO] mp = 228 deg C and practically insoluble in cold water; [Ullmann] White solid
Appearance
PLATES
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
36.86
TPSA
86.18

LogP / Solubility

WLOGP
-0.48
MLOGP
-0.43
XLogP3
-1.2
Consensus LogP
-0.7
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very 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)
-3.94

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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