CAS RN: 58717-36-5
rac-11-epi-Misoprostol
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.20250810 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS58717-36-5
- Purity/Analytical Methods: >99.0%
58717-36-5 / methyl 7-[3-hydroxy-2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]heptanoate
Basic Information
CAS
58717-36-5
Multi CAS
Yes
Molecular Formula
C22H38O5
Molecular Weight
382.500000
Exact Mass
382.271924
InChI
InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20+,22?/m1/s1
InChIKey
OJLOPKGSLYJEMD-XRULAAHKSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.82
Rotatable bonds
13
H-bond acceptors
5
H-bond donors
2
Molar refractivity
106.23
TPSA
83.83
LogP / Solubility
WLOGP
3.95
MLOGP
3.5
XLogP3
3.7
Consensus LogP
3.72
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.99
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)
-2.25
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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1-[4-(PYRROLIDIN-1-YLSULFONYL)PHENYL]ETHANONE
- CAS RN: 58722-33-1
- Product Code: starshine_CAS58722-33-1
- Purity/Analytical method: >99.0%
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![CAS 58722-33-1 1-[4-(PYRROLIDIN-1-YLSULFONYL)PHENYL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58722-33-1.gif)
