CAS RN: 85280-90-6
15(S)-15-METHYL PROSTAGLANDIN D2
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.20250221 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS85280-90-6
- Purity/Analytical Methods: >99.0%
85280-90-6 / 7-[(1R,2R,5S)-5-hydroxy-2-[(3S)-3-hydroxy-3-methyloct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
Basic Information
CAS
85280-90-6
Multi CAS
Yes
Molecular Formula
C21H34O5
Molecular Weight
366.500000
Exact Mass
366.240624
InChI
InChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-18,22,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,21+/m1/s1
InChIKey
CTXLUMAOXBULOZ-QEQARHSSSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.71
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
3
Molar refractivity
101.76
TPSA
94.83
LogP / Solubility
WLOGP
3.64
MLOGP
3.22
XLogP3
2.8
Consensus LogP
3.22
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.5
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)
-2.37
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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