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CAS 192883-14-0 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide molecular structure lightbox
CAS RN: 192883-14-0

3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250928 1mg / 5mg / 10mg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS192883-14-0
  • Purity/Analytical Methods: >99.0%
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192883-14-0 / 3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide

Standard CAS: 192883-14-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
192883-14-0
Multi CAS
No
Molecular Formula
C12H21NO4
Molecular Weight
243.300000
Exact Mass
243.147058
SMILES
CCCCCC(CC(=O)N[C@H]1CCOC1=O)O
InChI
InChI=1S/C12H21NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h9-10,14H,2-8H2,1H3,(H,13,15)/t9?,10-/m0/s1
InChIKey
XCZVBYOXRSFQBH-AXDSSHIGSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.27
TPSA
75.63

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
1.8
Consensus LogP
1.07
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67

Drug-likeness / Medicinal Chemistry

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

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