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CAS 482598-46-9 N-3-oxo-tetradec-7(Z)-enoyl-L-Homoserine lactone molecular structure lightbox
CAS RN: 482598-46-9

N-3-oxo-tetradec-7(Z)-enoyl-L-Homoserine lactone

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250110 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS482598-46-9
  • Purity/Analytical Methods: >99.0%
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482598-46-9 / (Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide

Standard CAS: 482598-46-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
482598-46-9
Multi CAS
Yes
Molecular Formula
C18H29NO4
Molecular Weight
323.400000
Exact Mass
323.209658
InChI
InChI=1S/C18H29NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h7-8,16H,2-6,9-14H2,1H3,(H,19,21)/b8-7-/t16-/m0/s1
InChIKey
MGGGOCSKDLGISA-PTZVLDCSSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.72
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.88
TPSA
72.47

LogP / Solubility

WLOGP
3.07
MLOGP
2.72
XLogP3
4.3
Consensus LogP
3.36
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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