![CAS 75001-09-1 2-[2-(2-Phthalimidoethoxy)ethoxy]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/75001-09-1.gif)
CAS RN: 75001-09-1
2-[2-(2-Phthalimidoethoxy)ethoxy]acetic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250520 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS75001-09-1
- Purity/Analytical Methods: >99.0%
75001-09-1 / 2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]acetic acid
Basic Information
CAS
75001-09-1
Multi CAS
No
Molecular Formula
C14H15NO6
Molecular Weight
293.270000
Exact Mass
293.089937
InChI
InChI=1S/C14H15NO6/c16-12(17)9-21-8-7-20-6-5-15-13(18)10-3-1-2-4-11(10)14(15)19/h1-4H,5-9H2,(H,16,17)
InChIKey
AGGILFWPOHHPKV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
71.08
TPSA
93.14
LogP / Solubility
WLOGP
0.4
MLOGP
0.36
XLogP3
0.8
Consensus LogP
0.52
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-4.22
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
2.5
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