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CAS 3906-22-7 Acetamide, N-octadecyl- molecular structure lightbox
CAS RN: 3906-22-7

Acetamide, N-octadecyl-

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260429 50mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS3906-22-7
  • Purity/Analytical Methods: >99.0%
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3906-22-7 / N-octadecylacetamide

Standard CAS: 3906-22-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3906-22-7
Multi CAS
No
Molecular Formula
C20H41NO
Molecular Weight
311.500000
Exact Mass
311.318815
InChI
InChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-20(2)22/h3-19H2,1-2H3,(H,21,22)
InChIKey
NOSILEXHUBACKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
98.23
TPSA
29.1

LogP / Solubility

WLOGP
6.38
MLOGP
5.63
XLogP3
8.4
Consensus LogP
6.8
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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