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CAS 182359-66-6 N-PENTADECANOYL-L-HOMOSERINE LACTONE molecular structure lightbox
CAS RN: 182359-66-6

N-PENTADECANOYL-L-HOMOSERINE LACTONE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250505 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS182359-66-6
  • Purity/Analytical Methods: >99.0%
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182359-66-6 / N-[(3S)-2-oxooxolan-3-yl]pentadecanamide

Standard CAS: 182359-66-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
182359-66-6
Multi CAS
No
Molecular Formula
C19H35NO3
Molecular Weight
325.500000
Exact Mass
325.261694
SMILES
CCCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)20-17-15-16-23-19(17)22/h17H,2-16H2,1H3,(H,20,21)/t17-/m0/s1
InChIKey
UPSONEVYPXSPEI-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.89
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
93.2
TPSA
55.4

LogP / Solubility

WLOGP
4.51
MLOGP
3.98
XLogP3
6.4
Consensus LogP
4.96
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

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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