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CAS 848258-31-1 Pemafibrate (racemate) molecular structure lightbox
CAS RN: 848258-31-1

Pemafibrate (racemate)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS848258-31-1
  • Purity/Analytical Methods: >99.0%
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848258-31-1 / 2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid

Standard CAS: 848258-31-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
848258-31-1
Multi CAS
No
Molecular Formula
C28H30N2O6
Molecular Weight
490.500000
Exact Mass
490.210387
InChI
InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)
InChIKey
ZHKNLJLMDFQVHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
21
Fraction Csp3
0.29
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
1
Molar refractivity
136.95
TPSA
94.26

LogP / Solubility

WLOGP
5.55
MLOGP
4.92
XLogP3
6.2
Consensus LogP
5.56
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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