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CAS 106983-28-2 N-CAPROYL-L-HOMOSERINE LACTONE molecular structure lightbox
CAS RN: 106983-28-2

N-CAPROYL-L-HOMOSERINE LACTONE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260109 5mg / 25mg / 100mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS106983-28-2
  • Purity/Analytical Methods: >99.0%
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106983-28-2 / N-(2-oxooxolan-3-yl)hexanamide

N-(2-oxooxolan-3-yl)hexanamide | RefChem:1091087 | N-Hexanoyl-DL-homoserine lactone

Standard CAS: 106983-28-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106983-28-2
Multi CAS
No
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
SMILES
CCCCCC(=O)NC1CCOC1=O
InChI
InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)
InChIKey
ZJFKKPDLNLCPNP-UHFFFAOYSA-N
Synonyms
N-(2-oxooxolan-3-yl)hexanamide RefChem:1091087 N-Hexanoyl-DL-homoserine lactone N-(2-oxotetrahydrofuran-3-yl)hexanamide N-CAPROYL-L-HOMOSERINE LACTONE

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.65
TPSA
55.4

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
1.5
Consensus LogP
1.13
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.38
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)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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