![CAS 1818885-57-2 Ethanamine,2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1818885-57-2.gif)
CAS RN: 1818885-57-2
Ethanamine,2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251104 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1818885-57-2
- Purity/Analytical Methods: >99.0%
1818885-57-2 / 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanamine
Basic Information
CAS
1818885-57-2
Multi CAS
No
Molecular Formula
C14H22N2O6
Molecular Weight
314.330000
Exact Mass
314.147786
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OCCOCCOCCOCCN
InChI
InChI=1S/C14H22N2O6/c15-5-6-19-7-8-20-9-10-21-11-12-22-14-3-1-13(2-4-14)16(17)18/h1-4H,5-12,15H2
InChIKey
OHCVYJCLAQBYKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
1
Molar refractivity
80.1
TPSA
106.08
LogP / Solubility
WLOGP
0.98
MLOGP
0.88
XLogP3
0.3
Consensus LogP
0.72
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.08
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94
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
2.5
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