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CAS 147795-40-2 N-(3-Oxodecanoyl)-L-homoserine lactone molecular structure lightbox
CAS RN: 147795-40-2

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

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260330 100mg In stock Inquiry
Batchno.20250717 10mg In stock Inquiry
Batchno.20250425 25mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260208 10mg In stock Shandong, Hebei Inquiry
Batchno.20250107 1mg In stock Shanghai, Shandong Inquiry
Batchno.20250205 25mg In stock Shanghai Inquiry
  • Product code: starshine_CAS147795-40-2
  • Purity/Analytical Methods: >99.0%
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147795-40-2 / 3-oxo-N-[(3S)-2-oxooxolan-3-yl]decanamide

Standard CAS: 147795-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
147795-40-2
Multi CAS
No
Molecular Formula
C14H23NO4
Molecular Weight
269.340000
Exact Mass
269.162708
SMILES
CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1
InChIKey
KYGIKEQVUKTKRR-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.79
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.51
TPSA
72.47

LogP / Solubility

WLOGP
1.74
MLOGP
1.54
XLogP3
3
Consensus LogP
2.09
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13

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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