![CAS 1443321-11-6 N′-[(E)-(2-Hydroxynaphthalen-1-yl)methylidene]-3-(2-methyl-1H-benzimidazol-1-yl)propanehydrazide) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1443321-11-6.gif)
CAS RN: 1443321-11-6
N′-[(E)-(2-Hydroxynaphthalen-1-yl)methylidene]-3-(2-methyl-1H-benzimidazol-1-yl)propanehydrazide)
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.20260625 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1443321-11-6
- Purity/Analytical Methods: >99.0%
1443321-11-6 / N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
Basic Information
CAS
1443321-11-6
Multi CAS
No
Molecular Formula
C22H20N4O2
Molecular Weight
372.400000
Exact Mass
372.158626
SMILES
CC1=NC2=CC=CC=C2N1CCC(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C22H20N4O2/c1-15-24-19-8-4-5-9-20(19)26(15)13-12-22(28)25-23-14-18-17-7-3-2-6-16(17)10-11-21(18)27/h2-11,14,27H,12-13H2,1H3,(H,25,28)/b23-14+
InChIKey
SOPYTFSYTUAGFR-OEAKJJBVSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
19
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
110.44
TPSA
79.51
LogP / Solubility
WLOGP
3.74
MLOGP
3.32
XLogP3
3.5
Consensus LogP
3.52
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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