![CAS 2101206-32-8 Propanoic acid, 3-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]-, 2,5-dioxo-1-pyrrolidinyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2101206-32-8.png)
CAS RN: 2101206-32-8
Propanoic acid, 3-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]-, 2,5-dioxo-1-pyrrolidinyl ester
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.20260307 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2101206-32-8
- Purity/Analytical Methods: >99.0%
2101206-32-8 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2101206-32-8
Multi CAS
No
Molecular Formula
C21H26N2O9
Molecular Weight
450.400000
Exact Mass
450.163830
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCNC(=O)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C21H26N2O9/c24-15-16-1-3-17(4-2-16)21(28)22-8-10-30-12-14-31-13-11-29-9-7-20(27)32-23-18(25)5-6-19(23)26/h1-4,15H,5-14H2,(H,22,28)
InChIKey
LFDQXMGOLAFWOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
15
H-bond acceptors
9
H-bond donors
1
Molar refractivity
108.42
TPSA
137.54
LogP / Solubility
WLOGP
0.28
MLOGP
0.27
XLogP3
-0.8
Consensus LogP
-0.08
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
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)
-5.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 2101206-48-6 5,8,11-Trioxa-2-azatetradecanedioic acid, 1-(bicyclo[6.1.0]non-4-yn-9-ylmethyl) 14-(2,3,4,5,6-pentafluorophenyl) ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2101206-48-6.png)
