CAS RN: 136826-50-1
1-Dehydro-10-gingerdione
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.20250927 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS136826-50-1
- Purity/Analytical Methods: >99.0%
136826-50-1 / (E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione
Basic Information
CAS
136826-50-1
Multi CAS
No
Molecular Formula
C21H30O4
Molecular Weight
346.500000
Exact Mass
346.214409
SMILES
CCCCCCCCCC(=O)CC(=O)/C=C/C1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h11-15,24H,3-10,16H2,1-2H3/b13-11+
InChIKey
QJDGTTCAEQPSJA-ACCUITESSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
1
Molar refractivity
100.93
TPSA
63.6
LogP / Solubility
WLOGP
5.08
MLOGP
4.49
XLogP3
5.7
Consensus LogP
5.09
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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