CAS RN: 87893-55-8
15D-PGJ2
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250430 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS87893-55-8
- Purity/Analytical Methods: >99.0%
87893-55-8 / 7-(5-oct-2-enylidene-4-oxocyclopent-2-en-1-yl)hept-5-enoic acid
Basic Information
CAS
87893-55-8
Multi CAS
Yes
Molecular Formula
C20H28O3
Molecular Weight
316.400000
Exact Mass
316.203845
InChI
InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1
InChIKey
VHRUMKCAEVRUBK-GODQJPCRSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.5
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
94.25
TPSA
54.37
LogP / Solubility
WLOGP
5.01
MLOGP
4.42
XLogP3
5
Consensus LogP
4.81
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.19
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)
-1.1
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
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