CAS RN: 1404111-56-3
Ald–Ph-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 | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251119 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1404111-56-3
- Purity/Analytical Methods: >99.0%
1404111-56-3 / N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-4-formylbenzamide
Basic Information
CAS
1404111-56-3
Multi CAS
No
Molecular Formula
C16H24N2O5
Molecular Weight
324.370000
Exact Mass
324.168522
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCOCCOCCOCCN
InChI
InChI=1S/C16H24N2O5/c17-5-7-21-9-11-23-12-10-22-8-6-18-16(20)15-3-1-14(13-19)2-4-15/h1-4,13H,5-12,17H2,(H,18,20)
InChIKey
ALRACXWPHXUFRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
2
Molar refractivity
85.67
TPSA
99.88
LogP / Solubility
WLOGP
0.24
MLOGP
0.22
XLogP3
-0.7
Consensus LogP
-0.08
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly 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)
-4.53
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
Customers Also Viewed
-
-
5,8,11,14-Tetraoxa-2-azahexadecanoic acid, 16-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
- CAS RN: 1404111-69-8
- Product Code: SSC-051034
-
-
-
TAT-GluA2 3Y
- CAS RN: 1404188-93-7
- Product Code: starshine_CAS1404188-93-7
- Purity/Analytical method: >99.0%
-
3-[(6-Methoxy-pyriMidin-4-yl)-Methyl-aMino]-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1404192-12-6
- Product Code: starshine_CAS1404192-12-6
- Purity/Analytical method: >99.0%
![CAS 1404111-69-8 5,8,11,14-Tetraoxa-2-azahexadecanoic acid, 16-[[(4-methylphenyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1404111-69-8.gif)
![CAS 1404192-12-6 3-[(6-Methoxy-pyriMidin-4-yl)-Methyl-aMino]-piperidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72580341(1).gif)