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CAS 20675-85-8 13,14-dihydro-15-keto-tetranor Prostaglandin E2 molecular structure lightbox
CAS RN: 20675-85-8

13,14-dihydro-15-keto-tetranor Prostaglandin E2

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250819 50μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS20675-85-8
  • Purity/Analytical Methods: >99.0%
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20675-85-8 / 3-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]propanoic acid

Standard CAS: 20675-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20675-85-8
Multi CAS
No
Molecular Formula
C16H26O5
Molecular Weight
298.370000
Exact Mass
298.178024
SMILES
CCCCCC(=O)CC[C@H]1[C@@H](CC(=O)[C@@H]1CCC(=O)O)O
InChI
InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h12-14,18H,2-10H2,1H3,(H,20,21)/t12-,13-,14-/m1/s1
InChIKey
FGACPXKRXBKDQL-MGPQQGTHSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.81
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77.86
TPSA
91.67

LogP / Solubility

WLOGP
2.35
MLOGP
2.08
XLogP3
1.1
Consensus LogP
1.84
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble

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)
-2.87

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
4

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