![CAS 85551-10-6 8-[(3S,4S)-4α-[(Z)-2-Pentenyl]-5-oxo-1-cyclopentene-3α-yl]octanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/85551-10-6.gif)
CAS RN: 85551-10-6
8-[(3S,4S)-4α-[(Z)-2-Pentenyl]-5-oxo-1-cyclopentene-3α-yl]octanoic acid
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250817 | 1mg | In stock | Shandong, Guangdong | Inquiry |
- Product code: starshine_CAS85551-10-6
- Purity/Analytical Methods: >99.0%
85551-10-6 / 8-(4-oxo-5-pent-2-enylcyclopent-2-en-1-yl)octanoic acid
Basic Information
CAS
85551-10-6
Multi CAS
Yes
Molecular Formula
C18H28O3
Molecular Weight
292.400000
Exact Mass
292.203845
InChI
InChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)
InChIKey
PMTMAFAPLCGXGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.67
Rotatable bonds
11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
85.13
TPSA
54.37
LogP / Solubility
WLOGP
4.53
MLOGP
4
XLogP3
4.7
Consensus LogP
4.41
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.64
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
No
Log Kp (skin permeation)
-1.29
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
3.5
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