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CAS 201848-10-4 13,14-DIHYDRO-15(R)-PROSTAGLANDIN E1 molecular structure lightbox
CAS RN: 201848-10-4

13,14-DIHYDRO-15(R)-PROSTAGLANDIN E1

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250630 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS201848-10-4
  • Purity/Analytical Methods: >99.0%
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201848-10-4 / 7-[3-hydroxy-2-(3-hydroxyoctyl)-5-oxocyclopentyl]heptanoic acid

Standard CAS: 201848-10-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201848-10-4
Multi CAS
No
Molecular Formula
C20H36O5
Molecular Weight
356.500000
Exact Mass
356.256274
SMILES
CCCCCC(CCC1C(CC(=O)C1CCCCCCC(=O)O)O)O
InChI
InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)
InChIKey
DPOINJQWXDTOSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.9
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
3
Molar refractivity
97.33
TPSA
94.83

LogP / Solubility

WLOGP
3.7
MLOGP
3.27
XLogP3
3.6
Consensus LogP
3.52
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.73
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)
-2.27

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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