CAS RN: 152833-54-0
Pseudomonas aeruginosa autoinducer
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251025 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS152833-54-0
- Purity/Analytical Methods: >99.0%
152833-54-0 / 3-oxo-N-(2-oxooxolan-3-yl)dodecanamide
Basic Information
CAS
152833-54-0
Multi CAS
No
Molecular Formula
C16H27NO4
Molecular Weight
297.390000
Exact Mass
297.194008
SMILES
CCCCCCCCCC(=O)CC(=O)NC1CCOC1=O
InChI
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)
InChIKey
PHSRRHGYXQCRPU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.81
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.74
TPSA
72.47
LogP / Solubility
WLOGP
2.52
MLOGP
2.23
XLogP3
4.1
Consensus LogP
2.95
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5
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)
-2.75
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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