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CAS 52508-35-7 Dikegulac sodium molecular structure lightbox
CAS RN: 52508-35-7

Dikegulac sodium

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251004 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS52508-35-7
  • Purity/Analytical Methods: >99.0%
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52508-35-7 / sodium (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate

Standard CAS: 52508-35-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
52508-35-7
Multi CAS
Yes
Molecular Formula
C12H17NAO7
Molecular Weight
296.250000
Exact Mass
296.087197
InChI
InChI=1S/C12H18O7.Na/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);/q;+1/p-1/t6-,7+,8-,12+;/m0./s1
InChIKey
DEWVPZYHFVYXMZ-QCILGFJPSA-M

Physical Properties

Melting Point
>300 °C
Physical Description
Solid
Appearance
Colorless crystals White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
7
Molar refractivity
57.55
TPSA
86.28

LogP / Solubility

WLOGP
-3.86
MLOGP
-3.39
XLogP3
-3.86
Consensus LogP
-3.7
Log S (ESOL)
0.82
Class (ESOL)
Highly soluble
Log S (Ali)
0.8
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.5
Class (SILICOS-IT)
Highly 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)
-7.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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