CAS RN: 573951-20-9
15-deoxy-Δ12,14-Prostaglandin A1
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.20250922 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS573951-20-9
- Purity/Analytical Methods: >99.0%
573951-20-9 / 7-[(1R,2Z)-2-[(E)-oct-2-enylidene]-5-oxocyclopent-3-en-1-yl]heptanoic acid
Basic Information
CAS
573951-20-9
Multi CAS
Yes
Molecular Formula
C20H30O3
Molecular Weight
318.400000
Exact Mass
318.219495
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,22,23)/b9-6+,17-12-/t18-/m1/s1
InChIKey
LDOCIRJMPUHXRM-YUJGFSRTSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.6
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
94.34
TPSA
54.37
LogP / Solubility
WLOGP
5.23
MLOGP
4.62
XLogP3
5.4
Consensus LogP
5.08
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.51
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)
-0.95
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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