CAS RN: 63983-53-9
6,15-DIKETO-13,14-DIHYDRO PROSTAGLANDIN F1ALPHA
Product Availability
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3 package records2 with current stock2 grade groups
- Product code: starshine_CAS63983-53-9
- Purity/Analytical Methods: >99.0%
63983-53-9 / 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxooctyl)cyclopentyl]-6-oxoheptanoic acid
Basic Information
CAS
63983-53-9
Multi CAS
Yes
Molecular Formula
C20H34O6
Molecular Weight
370.500000
Exact Mass
370.235539
InChI
InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h16-19,23-24H,2-13H2,1H3,(H,25,26)/t16-,17-,18-,19+/m1/s1
InChIKey
KBHLXKOKUVJZIS-MKXGPGLRSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.85
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
3
Molar refractivity
97.72
TPSA
111.9
LogP / Solubility
WLOGP
2.88
MLOGP
2.55
XLogP3
1.4
Consensus LogP
2.28
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
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)
-2.94
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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![CAS 63988-20-5 1′,3′-bis[1,2-diMyristoyl-sn-glycero-3-phospho]-sn-glycerol (aMMoniuM salt) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63988-20-5.gif)
