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CAS 35864-81-4 15(R)-15-METHYL PROSTAGLANDIN F2ALPHA molecular structure lightbox
CAS RN: 35864-81-4

15(R)-15-METHYL PROSTAGLANDIN F2ALPHA

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250209 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS35864-81-4
  • Purity/Analytical Methods: >99.0%
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35864-81-4 / 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid

Standard CAS: 35864-81-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35864-81-4
Multi CAS
Yes
Molecular Formula
C21H36O5
Molecular Weight
368.500000
Exact Mass
368.256274
InChI
InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)
InChIKey
DLJKPYFALUEJCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.76
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
4
Molar refractivity
102.76
TPSA
97.99

LogP / Solubility

WLOGP
3.43
MLOGP
3.04
XLogP3
2.9
Consensus LogP
3.12
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
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)
-2.53

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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