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CAS 57423-72-0 (22R)-14,20,22-Trihydroxy-1-oxoergosta-2,5,24-triene-18,26-dioic acid 18,20:26,22-dilactone molecular structure lightbox
CAS RN: 57423-72-0

(22R)-14,20,22-Trihydroxy-1-oxoergosta-2,5,24-triene-18,26-dioic acid 18,20:26,22-dilactone

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260225 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS57423-72-0
  • Purity/Analytical Methods: >99.0%
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57423-72-0 / (1R,2R,5S,6R,12S,13R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-15,18-diene-8,14-dione

Standard CAS: 57423-72-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57423-72-0
Multi CAS
Yes
Molecular Formula
C28H34O6
Molecular Weight
466.600000
Exact Mass
466.235539
InChI
InChI=1S/C28H34O6/c1-15-14-22(33-23(30)16(15)2)26(4)20-11-13-28(32)19-9-8-17-6-5-7-21(29)25(17,3)18(19)10-12-27(20,28)24(31)34-26/h5,7-8,18-20,22,32H,6,9-14H2,1-4H3/t18-,19+,20+,22+,25-,26+,27?,28+/m0/s1
InChIKey
XXDCTQHRVNTDTI-OZKLRMFXSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.68
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
123.26
TPSA
89.9

LogP / Solubility

WLOGP
3.97
MLOGP
3.53
XLogP3
3
Consensus LogP
3.5
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.11
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)
-2.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

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