![CAS 36422-63-6 Benzoxazole, 2,2′-[(1E)-1,2-ethenediyldi-4,1-phenylene]bis- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/36422-63-6.gif)
CAS RN: 36422-63-6
Benzoxazole, 2,2′-[(1E)-1,2-ethenediyldi-4,1-phenylene]bis- (9CI)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260530 | 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS36422-63-6
- Purity/Analytical Methods: >99.0%
36422-63-6 / 2-[4-[2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
Basic Information
CAS
36422-63-6
Multi CAS
Yes
Molecular Formula
C28H18N2O2
Molecular Weight
414.500000
Exact Mass
414.136828
InChI
InChI=1S/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H/b10-9+
InChIKey
ORACIQIJMCYPHQ-MDZDMXLPSA-N
Physical Properties
Physical Description
Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
30
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
127.82
TPSA
52.06
LogP / Solubility
WLOGP
7.47
MLOGP
6.6
XLogP3
7.2
Consensus LogP
7.09
Log S (ESOL)
-7.55
Class (ESOL)
Insoluble
Log S (Ali)
-8.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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