CAS RN: 925448-37-9

N-(3-Oxohexadecanoyl)-L-homoserine lactone

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250809 5mg / 10mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS925448-37-9
  • Purity/Analytical Methods: >99.0%
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925448-37-9 / 3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadecanamide

Standard CAS: 925448-37-9 Multi CAS: No

Basic Information

CAS
925448-37-9
Multi CAS
No
Molecular Formula
C20H35NO4
Molecular Weight
353.500000
Exact Mass
353.256609
InChI
InChI=1S/C20H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)16-19(23)21-18-14-15-25-20(18)24/h18H,2-16H2,1H3,(H,21,23)/t18-/m0/s1
InChIKey
YZBAMTUXUHIYCQ-SFHVURJKSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.85
Rotatable bonds
15
H-bond acceptors
4
H-bond donors
1
Molar refractivity
98.21
TPSA
72.47

LogP / Solubility

WLOGP
4.08
MLOGP
3.61
XLogP3
6.3
Consensus LogP
4.66
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.98

Drug-likeness / Medicinal Chemistry

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

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