CAS RN: 2517829-09-1
1,4-Benzenedicarboxylic acid, 2,5-bis(3-buten-1-yloxy)-, 1,4-dihydrazide
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.20260524 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2517829-09-1
- Purity/Analytical Methods: >99.0%
2517829-09-1 / 2,5-bis(but-3-enoxy)benzene-1,4-dicarbohydrazide
Basic Information
CAS
2517829-09-1
Multi CAS
No
Molecular Formula
C16H22N4O4
Molecular Weight
334.370000
Exact Mass
334.164105
SMILES
C=CCCOC1=CC(=C(C=C1C(=O)NN)OCCC=C)C(=O)NN
InChI
InChI=1S/C16H22N4O4/c1-3-5-7-23-13-9-12(16(22)20-18)14(24-8-6-4-2)10-11(13)15(21)19-17/h3-4,9-10H,1-2,5-8,17-18H2,(H,19,21)(H,20,22)
InChIKey
BHWYDRHJWRAVKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
90.37
TPSA
128.7
LogP / Solubility
WLOGP
0.8
MLOGP
0.72
XLogP3
1.1
Consensus LogP
0.87
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.7
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)
-4.19
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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