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CAS 54432-43-8 3-METHOXY PROSTAGLANDIN F1ALPHA molecular structure lightbox
CAS RN: 54432-43-8

3-METHOXY PROSTAGLANDIN F1ALPHA

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Batchno.20260325 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS54432-43-8
  • Purity/Analytical Methods: >99.0%
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54432-43-8 / 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]-3-methoxyheptanoic acid

Standard CAS: 54432-43-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54432-43-8
Multi CAS
Yes
Molecular Formula
C21H38O6
Molecular Weight
386.500000
Exact Mass
386.266839
InChI
InChI=1S/C21H38O6/c1-3-4-5-8-15(22)11-12-18-17(19(23)14-20(18)24)10-7-6-9-16(27-2)13-21(25)26/h11-12,15-20,22-24H,3-10,13-14H2,1-2H3,(H,25,26)/b12-11+/t15-,16?,17+,18+,19-,20+/m0/s1
InChIKey
UBKBNBIEPZZFBF-XZFPMTPLSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.86
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
4
Molar refractivity
104.42
TPSA
107.22

LogP / Solubility

WLOGP
2.89
MLOGP
2.57
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.25
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)
-3.02

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
5.5

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