CAS RN: 20897-91-0
15(R)-PROSTAGLANDIN E1
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.20260120 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS20897-91-0
- Purity/Analytical Methods: >99.0%
20897-91-0 / 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
Basic Information
CAS
20897-91-0
Multi CAS
No
Molecular Formula
C20H34O5
Molecular Weight
354.500000
Exact Mass
354.240624
SMILES
CCCCC[C@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
InChI
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17-,19-/m1/s1
InChIKey
GMVPRGQOIOIIMI-CHCORRSHSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.8
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
3
Molar refractivity
97.24
TPSA
94.83
LogP / Solubility
WLOGP
3.48
MLOGP
3.08
XLogP3
3.2
Consensus LogP
3.25
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.42
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
4.5
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