CAS RN: 97856-19-4
8,9-Didehydro-7-hydroxydolichodial
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.20250628 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS97856-19-4
- Purity/Analytical Methods: >99.0%
97856-19-4 / (3S,5R)-3-hydroxy-2-methyl-5-(3-oxoprop-1-en-2-yl)cyclopentene-1-carbaldehyde
Basic Information
CAS
97856-19-4
Multi CAS
Yes
Molecular Formula
C10H12O3
Molecular Weight
180.200000
Exact Mass
180.078644
InChI
InChI=1S/C10H12O3/c1-6(4-11)8-3-10(13)7(2)9(8)5-12/h4-5,8,10,13H,1,3H2,2H3/t8-,10+/m1/s1
InChIKey
HPPDWCXQOXACSB-SCZZXKLOSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.08
TPSA
54.37
LogP / Solubility
WLOGP
0.64
MLOGP
0.56
XLogP3
-0.4
Consensus LogP
0.27
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.37
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
2.5
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