![CAS 78008-36-3 (R)-1,4-Dioxaspiro[4.5]decane-2-carboxaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5511-jpgcontextbwfzdgvyfhjvb3r8mzawnjb8aw1hz2uvanblz3xonzcvagvmlzg5mzaznzu2mza4nzgvrdu1mteuanbnfdnlzwfmy2q2m2jjntmxmjm3yzm2y2yyn2u3m2zlmdyymgyxotc0zje3mjy4zmniowe1nzc1yjzjzja3ndjmzwq.jpeg)
CAS RN: 78008-36-3
(R)-1,4-Dioxaspiro[4.5]decane-2-carboxaldehyde
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: ICTD5511
- Purity/Analytical Methods: >98.0%(GC)
78008-36-3 / 1,4-dioxaspiro[4.5]decane-3-carbaldehyde
Basic Information
CAS
78008-36-3
Multi CAS
Yes
Molecular Formula
C9H14O3
Molecular Weight
170.210000
Exact Mass
170.094294
InChI
InChI=1S/C9H14O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h6,8H,1-5,7H2
InChIKey
FFGZPNNLXMQFMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.71
TPSA
35.53
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
1
Consensus LogP
1.12
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.86
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
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