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CAS 20592-20-5 13,14-DIHYDRO PROSTAGLANDIN F1ALPHA molecular structure lightbox
CAS RN: 20592-20-5

13,14-DIHYDRO PROSTAGLANDIN F1ALPHA

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260116 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS20592-20-5
  • Purity/Analytical Methods: >99.0%
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20592-20-5 / 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]heptanoic acid

Standard CAS: 20592-20-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
20592-20-5
Multi CAS
No
Molecular Formula
C20H38O5
Molecular Weight
358.500000
Exact Mass
358.271924
SMILES
CCCCC[C@@H](CC[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O)O
InChI
InChI=1S/C20H38O5/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/h15-19,21-23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,18-,19+/m0/s1
InChIKey
WMHAOJIJVNDMKA-BRIYLRKRSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.95
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
4
Molar refractivity
98.33
TPSA
97.99

LogP / Solubility

WLOGP
3.49
MLOGP
3.09
XLogP3
3.9
Consensus LogP
3.49
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.57
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)
-2.43

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
5

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