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CAS 36150-00-2 5-TRANS PROSTAGLANDIN E2 molecular structure lightbox
CAS RN: 36150-00-2

5-TRANS PROSTAGLANDIN E2

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250813 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS36150-00-2
  • Purity/Analytical Methods: >99.0%
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36150-00-2 / 7-[3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]hept-5-enoic acid

Standard CAS: 36150-00-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36150-00-2
Multi CAS
Yes
Molecular Formula
C20H32O5
Molecular Weight
352.500000
Exact Mass
352.224974
InChI
InChI=1S/C20H32O5/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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+/t15-,16+,17+,19+/m0/s1
InChIKey
XEYBRNLFEZDVAW-BRNHSORCSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.7
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
3
Molar refractivity
97.14
TPSA
94.83

LogP / Solubility

WLOGP
3.25
MLOGP
2.88
XLogP3
2.8
Consensus LogP
2.98
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
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)
-2.56

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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