![CAS 121761-43-1 1,4-Benzenedicarboxylic acid, 2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-, 1,4-dihydrazide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/121761-43-1.gif)
CAS RN: 121761-43-1
1,4-Benzenedicarboxylic acid, 2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-, 1,4-dihydrazide
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.20250928 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS121761-43-1
- Purity/Analytical Methods: >99.0%
121761-43-1 / 2,5-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene-1,4-dicarbohydrazide
Basic Information
CAS
121761-43-1
Multi CAS
No
Molecular Formula
C22H38N4O10
Molecular Weight
518.600000
Exact Mass
518.258793
SMILES
COCCOCCOCCOC1=CC(=C(C=C1C(=O)NN)OCCOCCOCCOC)C(=O)NN
InChI
InChI=1S/C22H38N4O10/c1-29-3-5-31-7-9-33-11-13-35-19-15-18(22(28)26-24)20(16-17(19)21(27)25-23)36-14-12-34-10-8-32-6-4-30-2/h15-16H,3-14,23-24H2,1-2H3,(H,25,27)(H,26,28)
InChIKey
REMDWSSNSJLBOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
22
H-bond acceptors
12
H-bond donors
4
Molar refractivity
127.77
TPSA
184.08
LogP / Solubility
WLOGP
-0.99
MLOGP
-0.83
XLogP3
-2
Consensus LogP
-1.27
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.59
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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