CAS RN: 81246-85-7
(+/-)8,9-EET
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.20260131 | 50μg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS81246-85-7
- Purity/Analytical Methods: >99.0%
81246-85-7 / 7-(3-undeca-2,5-dienyloxiran-2-yl)hept-5-enoic acid
Basic Information
CAS
81246-85-7
Multi CAS
Yes
Molecular Formula
C20H32O3
Molecular Weight
320.500000
Exact Mass
320.235145
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)
InChIKey
DBWQSCSXHFNTMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.65
Rotatable bonds
14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
95.56
TPSA
49.83
LogP / Solubility
WLOGP
5.43
MLOGP
4.79
XLogP3
5.4
Consensus LogP
5.21
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.93
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)
-0.82
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
3.5
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![CAS 81261-97-4 4-[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]BENZOICACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/81261-97-4.gif)
