CAS RN: 2243569-24-4
(4E)-TCO-PEG4-amine
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.20250606 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2243569-24-4
- Purity/Analytical Methods: >99.0%
2243569-24-4 / cyclooct-4-en-1-yl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
Basic Information
CAS
2243569-24-4
Multi CAS
No
Molecular Formula
C19H36N2O6
Molecular Weight
388.500000
Exact Mass
388.257337
SMILES
C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCN
InChI
InChI=1S/C19H36N2O6/c20-8-10-23-12-14-25-16-17-26-15-13-24-11-9-21-19(22)27-18-6-4-2-1-3-5-7-18/h1-2,18H,3-17,20H2,(H,21,22)/b2-1-
InChIKey
RYDDYUPROQQUFL-UPHRSURJSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.84
Rotatable bonds
15
H-bond acceptors
7
H-bond donors
2
Molar refractivity
102.83
TPSA
101.27
LogP / Solubility
WLOGP
1.63
MLOGP
1.45
XLogP3
0.7
Consensus LogP
1.26
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.93
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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