CAS RN: 69609-77-4
(5Z)-6A-CARBAPROSTAGLANDIN I2
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.20251219 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS69609-77-4
- Purity/Analytical Methods: >99.0%
69609-77-4 / 5-[5-hydroxy-4-(3-hydroxyoct-1-enyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid
Basic Information
CAS
69609-77-4
Multi CAS
Yes
Molecular Formula
C21H34O4
Molecular Weight
350.500000
Exact Mass
350.245710
InChI
InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7-/t16-,17-,18+,19-,20+/m0/s1
InChIKey
XZFRIPGNUQRGPI-WLPVIMDJSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.76
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
3
Molar refractivity
99.19
TPSA
77.76
LogP / Solubility
WLOGP
4.07
MLOGP
3.6
XLogP3
3.2
Consensus LogP
3.62
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.52
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)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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