![CAS 85051-41-8 Cyclopenta[c]pyran-7-carboxaldehyde (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/85051-41-8.gif)
CAS RN: 85051-41-8
Cyclopenta[c]pyran-7-carboxaldehyde (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250218 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS85051-41-8
- Purity/Analytical Methods: >99.0%
85051-41-8 / cyclopenta[c]pyran-7-carbaldehyde
Basic Information
CAS
85051-41-8
Multi CAS
No
Molecular Formula
C9H6O2
Molecular Weight
146.140000
Exact Mass
146.036779
InChI
InChI=1S/C9H6O2/c10-5-8-2-1-7-3-4-11-6-9(7)8/h1-6H
InChIKey
VRMFZTBAWYVGGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.72
TPSA
30.21
LogP / Solubility
WLOGP
2.2
MLOGP
1.93
XLogP3
1.4
Consensus LogP
1.84
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-2.05
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
1.5
