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CAS 479050-96-9 N-[(3S)-TETRAHYDRO-2-OXO-3-FURANYL]-OCTADECANAMIDE molecular structure lightbox
CAS RN: 479050-96-9

N-[(3S)-TETRAHYDRO-2-OXO-3-FURANYL]-OCTADECANAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250703 10mg / 25mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS479050-96-9
  • Purity/Analytical Methods: >99.0%
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479050-96-9 / N-(2-oxooxolan-3-yl)octadecanamide

Standard CAS: 479050-96-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
479050-96-9
Multi CAS
Yes
Molecular Formula
C22H41NO3
Molecular Weight
367.600000
Exact Mass
367.308644
InChI
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20-18-19-26-22(20)25/h20H,2-19H2,1H3,(H,23,24)/t20-/m0/s1
InChIKey
HGMDJDYXARRSKB-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.91
Rotatable bonds
17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
107.05
TPSA
55.4

LogP / Solubility

WLOGP
5.68
MLOGP
5.02
XLogP3
8
Consensus LogP
6.23
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.8
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
Yes
Log Kp (skin permeation)
-0.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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