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CAS 57944-39-5 1A,1B-DIHOMO PROSTAGLANDIN F2ALPHA molecular structure lightbox
CAS RN: 57944-39-5

1A,1B-DIHOMO PROSTAGLANDIN F2ALPHA

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250326 1mg In stock Inquiry
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  • Product code: starshine_CAS57944-39-5
  • Purity/Analytical Methods: >99.0%
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57944-39-5 / 9-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid

Standard CAS: 57944-39-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57944-39-5
Multi CAS
Yes
Molecular Formula
C22H38O5
Molecular Weight
382.500000
Exact Mass
382.271924
InChI
InChI=1S/C22H38O5/c1-2-3-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-4-5-7-10-13-22(26)27/h6,9,14-15,17-21,23-25H,2-5,7-8,10-13,16H2,1H3,(H,26,27)/b9-6-,15-14+/t17-,18+,19+,20-,21+/m0/s1
InChIKey
ZCTAOAWRUXSOQF-GWSKAPOCSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.77
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
4
Molar refractivity
107.38
TPSA
97.99

LogP / Solubility

WLOGP
3.82
MLOGP
3.39
XLogP3
3.8
Consensus LogP
3.67
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.46
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
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.34

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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