CAS RN: 2143456-42-0
1, 4- Benzenedicarboxylic acid, 2, 5- dipropoxy- , 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.20251024 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2143456-42-0
- Purity/Analytical Methods: >99.0%
2143456-42-0 / 2,5-dipropoxybenzene-1,4-dicarbohydrazide
Basic Information
CAS
2143456-42-0
Multi CAS
No
Molecular Formula
C14H22N4O4
Molecular Weight
310.350000
Exact Mass
310.164105
SMILES
CCCOC1=CC(=C(C=C1C(=O)NN)OCCC)C(=O)NN
InChI
InChI=1S/C14H22N4O4/c1-3-5-21-11-7-10(14(20)18-16)12(22-6-4-2)8-9(11)13(19)17-15/h7-8H,3-6,15-16H2,1-2H3,(H,17,19)(H,18,20)
InChIKey
BTCJOWBWLAYYQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
4
Molar refractivity
81.32
TPSA
128.7
LogP / Solubility
WLOGP
0.47
MLOGP
0.43
XLogP3
0.7
Consensus LogP
0.53
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-4.28
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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