CAS RN: 182359-60-0
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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.20260320 | 5mg / 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS182359-60-0
- Purity/Analytical Methods: >99.0%
182359-60-0 / 3-hydroxy-N-(2-oxooxolan-3-yl)dodecanamide
Basic Information
CAS
182359-60-0
Multi CAS
No
Molecular Formula
C16H29NO4
Molecular Weight
299.410000
Exact Mass
299.209658
SMILES
CCCCCCCCCC(CC(=O)NC1CCOC1=O)O
InChI
InChI=1S/C16H29NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h13-14,18H,2-12H2,1H3,(H,17,19)
InChIKey
RGTXFFYJJNWEPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
2
Molar refractivity
80.74
TPSA
75.63
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
4
Consensus LogP
2.78
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.84
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)
-2.91
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
3.5
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