CAS RN: 53658-98-3
11-DEOXY-16,16-DIMETHYL PROSTAGLANDIN E2
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.20250108 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS53658-98-3
- Purity/Analytical Methods: >99.0%
53658-98-3 / 7-[(1R,2R)-2-[(3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Basic Information
CAS
53658-98-3
Multi CAS
Yes
Molecular Formula
C22H36O4
Molecular Weight
364.500000
Exact Mass
364.261360
InChI
InChI=1S/C22H36O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h6,8,13,15,17-18,20,24H,4-5,7,9-12,14,16H2,1-3H3,(H,25,26)/b8-6-,15-13+/t17-,18-,20-/m1/s1
InChIKey
LLVVDFDWPQHXBA-QEJIITRLSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.73
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
104.92
TPSA
74.6
LogP / Solubility
WLOGP
4.92
MLOGP
4.35
XLogP3
4.2
Consensus LogP
4.49
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.55
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
Yes
Log Kp (skin permeation)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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- CAS RN: 53666-72-1
- Product Code: starshine_CAS53666-72-1
- Purity/Analytical method: >99.0%
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