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CAS 88475-69-8 Beraprost sodium molecular structure lightbox
CAS RN: 88475-69-8

Beraprost sodium

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250114 1mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS88475-69-8
  • Purity/Analytical Methods: >99.0%
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88475-69-8 / sodium 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate

Standard CAS: 88475-69-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88475-69-8
Multi CAS
Yes
Molecular Formula
C24H29NAO5
Molecular Weight
420.500000
Exact Mass
420.191268
InChI
InChI=1S/C24H30O5.Na/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28;/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28);/q;+1/p-1/b13-12+;/t15?,17-,19+,20+,21-,23-;/m0./s1
InChIKey
YTCZZXIRLARSET-VJRSQJMHSA-M

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
108.04
TPSA
89.82

LogP / Solubility

WLOGP
-1.04
MLOGP
-0.89
XLogP3
-1.04
Consensus LogP
-0.99
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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