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CAS 106983-26-0 N-HEPTANOYL-DL-HOMOSERINE LACTONE molecular structure lightbox
CAS RN: 106983-26-0

N-HEPTANOYL-DL-HOMOSERINE LACTONE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250722 25mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS106983-26-0
  • Purity/Analytical Methods: >99.0%
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106983-26-0 / N-(2-oxooxolan-3-yl)heptanamide

N-Heptanoyl-DL-homoserine lactone | N-(2-oxooxolan-3-yl)heptanamide | N-(2-Oxotetrahydrofuran-3-yl)heptanamide

Standard CAS: 106983-26-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106983-26-0
Multi CAS
No
Molecular Formula
C11H19NO3
Molecular Weight
213.270000
Exact Mass
213.136493
SMILES
CCCCCCC(=O)NC1CCOC1=O
InChI
InChI=1S/C11H19NO3/c1-2-3-4-5-6-10(13)12-9-7-8-15-11(9)14/h9H,2-8H2,1H3,(H,12,13)
InChIKey
FTMZLSDESAOPSZ-UHFFFAOYSA-N
Synonyms
N-Heptanoyl-DL-homoserine lactone N-(2-oxooxolan-3-yl)heptanamide N-(2-Oxotetrahydrofuran-3-yl)heptanamide MFCD01862914 CHEMBL488749

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.27
TPSA
55.4

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
2.1
Consensus LogP
1.57
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-3.04

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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