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CAS 82039-15-4 2,6-DIETHYL-N-(METHOXYMETHYL)ACETANILIDE molecular structure lightbox
CAS RN: 82039-15-4

2,6-DIETHYL-N-(METHOXYMETHYL)ACETANILIDE

  • Product code: SSC-190293
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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 82039-15-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

82039-15-4 / N-(butoxymethyl)-N-(2,6-diethylphenyl)acetamide

Standard CAS: 82039-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82039-15-4
Multi CAS
No
Molecular Formula
C17H27NO2
Molecular Weight
277.400000
Exact Mass
277.204179
InChI
InChI=1S/C17H27NO2/c1-5-8-12-20-13-18(14(4)19)17-15(6-2)10-9-11-16(17)7-3/h9-11H,5-8,12-13H2,1-4H3
InChIKey
OETFRALKFSSGAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
84.09
TPSA
29.54

LogP / Solubility

WLOGP
3.94
MLOGP
3.48
XLogP3
3.9
Consensus LogP
3.77
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62

Drug-likeness / Medicinal Chemistry

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

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