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CAS 106983-36-2 N-DECANOYL-DL-HOMOSERINE LACTONE, C10-HSL，AHL信号分子 molecular structure lightbox
CAS RN: 106983-36-2

N-DECANOYL-DL-HOMOSERINE LACTONE, C10-HSL，AHL信号分子

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260410 5mg / 10mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong 15 business days Inquiry
  • Product code: LINN914666
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106983-36-2 / N-(2-oxooxolan-3-yl)decanamide

N-Decanoyl-DL-homoserine lactone | DTXSID30469949 | RefChem:363823

Standard CAS: 106983-36-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106983-36-2
Multi CAS
No
Molecular Formula
C14H25NO3
Molecular Weight
255.350000
Exact Mass
255.183444
SMILES
CCCCCCCCCC(=O)NC1CCOC1=O
InChI
InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)
InChIKey
TZWZKDULKILUPV-UHFFFAOYSA-N
Synonyms
N-Decanoyl-DL-homoserine lactone DTXSID30469949 RefChem:363823 DTXCID80420767 TZWZKDULKILUPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.86
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.12
TPSA
55.4

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
3.7
Consensus LogP
2.84
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly 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)
-2.46

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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