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CAS 60203-57-8 PROSTAGLANDIN J2 molecular structure lightbox
CAS RN: 60203-57-8

PROSTAGLANDIN J2

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260301 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS60203-57-8
  • Purity/Analytical Methods: >99.0%
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60203-57-8 / 7-[5-(3-hydroxyoct-1-enyl)-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

Standard CAS: 60203-57-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60203-57-8
Multi CAS
Yes
Molecular Formula
C20H30O4
Molecular Weight
334.400000
Exact Mass
334.214409
InChI
InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1
InChIKey
UQOQENZZLBSFKO-POPPZSFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.6
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
95.66
TPSA
74.6

LogP / Solubility

WLOGP
4.06
MLOGP
3.59
XLogP3
3.6
Consensus LogP
3.75
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88

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

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