![CAS 78926-35-9 BICYCLO[4.2.0]OCTA-1,3,5-TRIENE-7-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/78926-35-9.gif)
CAS RN: 78926-35-9
BICYCLO[4.2.0]OCTA-1,3,5-TRIENE-7-CARBALDEHYDE
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.20250225 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS78926-35-9
- Purity/Analytical Methods: >99.0%
78926-35-9 / bicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde
Basic Information
CAS
78926-35-9
Multi CAS
No
Molecular Formula
C9H8O
Molecular Weight
132.160000
Exact Mass
132.057515
InChI
InChI=1S/C9H8O/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,6,8H,5H2
InChIKey
CAGLJCIYRHLVFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
38.95
TPSA
17.07
LogP / Solubility
WLOGP
1.53
MLOGP
1.33
XLogP3
0.9
Consensus LogP
1.25
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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