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CAS RN: 1400974-23-3
N-cis-octadec-9Z-enoyl-L-Homoserine lactone Exclusive
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260225 | 25mg / 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1400974-23-3
- Purity/Analytical Methods: >99.0%
1400974-23-3 / (Z)-N-[(3S)-2-oxooxolan-3-yl]octadec-9-enamide
Basic Information
CAS
1400974-23-3
Multi CAS
No
Molecular Formula
C22H39NO3
Molecular Weight
365.500000
Exact Mass
365.292994
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20-18-19-26-22(20)25/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)/b10-9-/t20-/m0/s1
InChIKey
PYEKBLYUYSJMKS-QJRAZLAKSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.82
Rotatable bonds
16
H-bond acceptors
3
H-bond donors
1
Molar refractivity
106.96
TPSA
55.4
LogP / Solubility
WLOGP
5.46
MLOGP
4.82
XLogP3
7.1
Consensus LogP
5.79
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.48
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
Yes
Log Kp (skin permeation)
-1.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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