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CAS 690683-31-9 N’-(2,6-dimethylphenyl)-N-(pyridin-2-ylmethyl)oxamide molecular structure lightbox
CAS RN: 690683-31-9

N’-(2,6-dimethylphenyl)-N-(pyridin-2-ylmethyl)oxamide

  • Product code: SSC-178715
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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 690683-31-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

690683-31-9 / N'-(2,6-dimethylphenyl)-N-(pyridin-2-ylmethyl)oxamide

Standard CAS: 690683-31-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
690683-31-9
Multi CAS
No
Molecular Formula
C16H17N3O2
Molecular Weight
283.320000
Exact Mass
283.132077
InChI
InChI=1S/C16H17N3O2/c1-11-6-5-7-12(2)14(11)19-16(21)15(20)18-10-13-8-3-4-9-17-13/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
IZIWWJWZQFKREZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.63
TPSA
71.09

LogP / Solubility

WLOGP
1.95
MLOGP
1.73
XLogP3
2
Consensus LogP
1.89
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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