![CAS 1481401-71-1 2,1,3-Benzoxadiazol-4-amine, N-[2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]ethyl]-N-methyl-7-nitro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1481401-71-1.gif)
CAS RN: 1481401-71-1
2,1,3-Benzoxadiazol-4-amine, N-[2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]ethyl]-N-methyl-7-nitro-
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251228 | 1mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1481401-71-1
- Purity/Analytical Methods: >99.0%
1481401-71-1 / N-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-N-methyl-4-nitro-2,1,3-benzoxadiazol-7-amine
Basic Information
CAS
1481401-71-1
Multi CAS
No
Molecular Formula
C31H28N4O4
Molecular Weight
520.600000
Exact Mass
520.211055
SMILES
CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C3=CC=C(C4=NON=C34)[N+](=O)[O-])/C5=CC=CC=C5
InChI
InChI=1S/C31H28N4O4/c1-3-26(22-10-6-4-7-11-22)29(23-12-8-5-9-13-23)24-14-16-25(17-15-24)38-21-20-34(2)27-18-19-28(35(36)37)31-30(27)32-39-33-31/h4-19H,3,20-21H2,1-2H3/b29-26-
InChIKey
UKSXWLGSDIHAEK-WCTVFOPTSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
27
Fraction Csp3
0.16
Rotatable bonds
10
H-bond acceptors
7
Molar refractivity
152.76
TPSA
94.53
LogP / Solubility
WLOGP
7.02
MLOGP
6.21
XLogP3
8
Consensus LogP
7.08
Log S (ESOL)
-7.34
Class (ESOL)
Insoluble
Log S (Ali)
-8.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.91
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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