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CAS 106983-30-6 N-OCTANOYL-DL-HOMOSERINE LACTONE molecular structure lightbox
CAS RN: 106983-30-6

N-OCTANOYL-DL-HOMOSERINE LACTONE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250506 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS106983-30-6
  • Purity/Analytical Methods: >99.0%
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106983-30-6 / N-(2-oxooxolan-3-yl)octanamide

N-Octanoyl-DL-homoserine lactone | N-(2-oxooxolan-3-yl)octanamide | N-octanoyl-homoserine lactone

Standard CAS: 106983-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106983-30-6
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CCCCCCCC(=O)NC1CCOC1=O
InChI
InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)
InChIKey
JKEJEOJPJVRHMQ-UHFFFAOYSA-N
Synonyms
N-Octanoyl-DL-homoserine lactone N-(2-oxooxolan-3-yl)octanamide N-octanoyl-homoserine lactone WAH4ZP3AVN DTXSID801046077

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.88
TPSA
55.4

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
2.6
Consensus LogP
1.98
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-2.84

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

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