CAS RN: 895127-66-9
(±)7(8)-EpDPA
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.20250601 | 100μg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS895127-66-9
- Purity/Analytical Methods: >99.0%
895127-66-9 / (Z)-6-[3-[(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenyl]oxiran-2-yl]hex-4-enoic acid
Basic Information
CAS
895127-66-9
Multi CAS
Yes
Molecular Formula
C22H32O3
Molecular Weight
344.500000
Exact Mass
344.235145
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-21(25-20)18-15-13-16-19-22(23)24/h3-4,6-7,9-10,12-15,20-21H,2,5,8,11,16-19H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,14-12-,15-13-/t20-,21+/m1/s1
InChIKey
OHYKIJBTVXMLKX-JYFGGXQQSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.5
Rotatable bonds
14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
104.61
TPSA
49.83
LogP / Solubility
WLOGP
5.76
MLOGP
5.09
XLogP3
5.3
Consensus LogP
5.38
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.36
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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