CAS RN: 40499-78-3
Furazan, di-p-anisoyl-,2-oxide
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.20250817 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS40499-78-3
- Purity/Analytical Methods: >99.0%
40499-78-3 / [4-(4-methoxybenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-methoxyphenyl)methanone
Basic Information
CAS
40499-78-3
Multi CAS
Yes
Molecular Formula
C18H14N2O6
Molecular Weight
354.300000
Exact Mass
354.085186
InChI
InChI=1S/C18H14N2O6/c1-24-13-7-3-11(4-8-13)17(21)15-16(20(23)26-19-15)18(22)12-5-9-14(25-2)10-6-12/h3-10H,1-2H3
InChIKey
FSLCSENNTORBKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
88.32
TPSA
105.57
LogP / Solubility
WLOGP
1.79
MLOGP
1.59
XLogP3
3.3
Consensus LogP
2.23
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61
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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METHYL 4′-HYDROXY[1,1′-BIPHENYL]-4-CARBOXYLATE
- CAS RN: 40501-41-5
- Product Code: SSC-148704
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![CAS 40501-41-5 METHYL 4′-HYDROXY[1,1′-BIPHENYL]-4-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40501-41-5.gif)
