CAS RN: 37785-98-1
11-DEOXY PROSTAGLANDIN F1ALPHA
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251112 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS37785-98-1
- Purity/Analytical Methods: >99.0%
37785-98-1 / 7-[(1R,2S,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid
Basic Information
CAS
37785-98-1
Multi CAS
Yes
Molecular Formula
C20H36O4
Molecular Weight
340.500000
Exact Mass
340.261360
InChI
InChI=1S/C20H36O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+,19-/m0/s1
InChIKey
HYBPXYQCXNOTFK-DUSCRHDRSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.85
Rotatable bonds
13
H-bond acceptors
3
H-bond donors
3
Molar refractivity
96.85
TPSA
77.76
LogP / Solubility
WLOGP
4.3
MLOGP
3.8
XLogP3
4.4
Consensus LogP
4.17
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7
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
No
Log Kp (skin permeation)
-1.75
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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