CAS RN: 2028288-77-7
TCO-PEG3-Amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260606 | 25mg | Out of stock | Inquiry |
- Product code: starshine_CAS2028288-77-7
- Purity/Analytical Methods: >99.0%
2028288-77-7 / [(4Z)-cyclooct-4-en-1-yl] N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate
Basic Information
CAS
2028288-77-7
Multi CAS
No
Molecular Formula
C19H36N2O5
Molecular Weight
372.500000
Exact Mass
372.262422
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCCOCCOCCOCCCN
InChI
InChI=1S/C19H36N2O5/c20-10-6-12-23-14-16-25-17-15-24-13-7-11-21-19(22)26-18-8-4-2-1-3-5-9-18/h1-2,18H,3-17,20H2,(H,21,22)/b2-1-
InChIKey
ZWCIHUBGBBHCSO-UPHRSURJSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.84
Rotatable bonds
14
H-bond acceptors
6
H-bond donors
2
Molar refractivity
101.24
TPSA
92.04
LogP / Solubility
WLOGP
2.39
MLOGP
2.12
XLogP3
1.6
Consensus LogP
2.04
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
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)
-3.3
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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