CAS RN: 38030-57-8
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250307 | 1mg / 2mg / 5mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS38030-57-8
- Purity/Analytical Methods: >99.0%
38030-57-8 / 3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Basic Information
CAS
38030-57-8
Multi CAS
Yes
Molecular Formula
C20H26O3
Molecular Weight
314.400000
Exact Mass
314.188195
InChI
InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+
InChIKey
GGCUJPCCTQNTJF-FRCNGJHJSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
94.15
TPSA
54.37
LogP / Solubility
WLOGP
4.78
MLOGP
4.22
XLogP3
4.8
Consensus LogP
4.6
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
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)
-1.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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- CAS RN: 38046-82-1
- Product Code: starshine_CAS38046-82-1
- Purity/Analytical method: >99.0%
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