CAS RN: 177158-19-9
N-(3-Oxotetradecanoyl)-L-homoserine lactone
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.20260311 | 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS177158-19-9
- Purity/Analytical Methods: >99.0%
177158-19-9 / 3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide
Basic Information
CAS
177158-19-9
Multi CAS
No
Molecular Formula
C18H31NO4
Molecular Weight
325.400000
Exact Mass
325.225308
SMILES
CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h16H,2-14H2,1H3,(H,19,21)/t16-/m0/s1
InChIKey
YQFJJDSGBAAUPW-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.83
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.97
TPSA
72.47
LogP / Solubility
WLOGP
3.3
MLOGP
2.92
XLogP3
5.2
Consensus LogP
3.81
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
Class (SILICOS-IT)
Insoluble
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)
-2.36
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317
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