![CAS 878792-30-4 4-HYDROXY-BICYCLO[2.2.2]OCTANE-1-CARBOXALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878792-30-4.gif)
CAS RN: 878792-30-4
4-HYDROXY-BICYCLO[2.2.2]OCTANE-1-CARBOXALDEHYDE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS878792-30-4
- Purity/Analytical Methods: >99.0%
878792-30-4 / 4-hydroxybicyclo[2.2.2]octane-1-carbaldehyde
Basic Information
CAS
878792-30-4
Multi CAS
No
Molecular Formula
C9H14O2
Molecular Weight
154.210000
Exact Mass
154.099380
InChI
InChI=1S/C9H14O2/c10-7-8-1-4-9(11,5-2-8)6-3-8/h7,11H,1-6H2
InChIKey
FHELOQCALDEPNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.15
TPSA
37.3
LogP / Solubility
WLOGP
1.27
MLOGP
1.11
XLogP3
0.4
Consensus LogP
0.93
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.76
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
3.5
Customers Also Viewed
-
-
-
-
2-Boc-1,2,3,4-Tetrahydroisoquinoline-8-Carboxylic Acid
- CAS RN: 878798-87-9
- Product Code: SSC-198233
-
-
(E)-3-(Dimethylamino)-1-(3-imidazo[1,2-a]pyridyl)-2-propen-1-one
- CAS RN: 878804-63-8
- Product Code: SSC-198235
![CAS 878804-63-8 (E)-3-(Dimethylamino)-1-(3-imidazo[1,2-a]pyridyl)-2-propen-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878804-63-8.gif)