CAS RN: 1674386-82-3
Lipoamido-PEG2-alcohol
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.20250409 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1674386-82-3
- Purity/Analytical Methods: >99.0%
1674386-82-3 / 5-(dithiolan-3-yl)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
Basic Information
CAS
1674386-82-3
Multi CAS
No
Molecular Formula
C14H27NO4S2
Molecular Weight
337.500000
Exact Mass
337.138151
SMILES
C1CSSC1CCCCC(=O)NCCOCCOCCO
InChI
InChI=1S/C14H27NO4S2/c16-7-9-19-11-10-18-8-6-15-14(17)4-2-1-3-13-5-12-20-21-13/h13,16H,1-12H2,(H,15,17)
InChIKey
VTTNIUWBGVLVEK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.93
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
2
Molar refractivity
88.66
TPSA
67.79
LogP / Solubility
WLOGP
1.84
MLOGP
1.64
XLogP3
0.4
Consensus LogP
1.29
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.94
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)
-3.47
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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