CAS RN: 2055013-56-2
Ald-Ph-PEG2-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.20250808 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2055013-56-2
- Purity/Analytical Methods: >99.0%
2055013-56-2 / N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-formylbenzamide
Basic Information
CAS
2055013-56-2
Multi CAS
No
Molecular Formula
C14H20N2O4
Molecular Weight
280.320000
Exact Mass
280.142307
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCOCCOCCN
InChI
InChI=1S/C14H20N2O4/c15-5-7-19-9-10-20-8-6-16-14(18)13-3-1-12(11-17)2-4-13/h1-4,11H,5-10,15H2,(H,16,18)
InChIKey
MAVIFAPOMVRMJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
74.86
TPSA
90.65
LogP / Solubility
WLOGP
0.22
MLOGP
0.2
XLogP3
-0.6
Consensus LogP
-0.06
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
