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CAS 1340493-24-4 Selaginellin F molecular structure lightbox
CAS RN: 1340493-24-4

Selaginellin F

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260201 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1340493-24-4
  • Purity/Analytical Methods: >99.0%
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1340493-24-4 / 4-[[6-(2,4-dihydroxyphenyl)-3-(hydroxymethyl)-2-[2-(4-hydroxyphenyl)ethynyl]phenyl]-(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one

Standard CAS: 1340493-24-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1340493-24-4
Multi CAS
No
Molecular Formula
C34H24O6
Molecular Weight
528.500000
Exact Mass
528.157288
SMILES
C1=CC(=O)C=CC1=C(C2=CC=C(C=C2)O)C3=C(C=CC(=C3C#CC4=CC=C(C=C4)O)CO)C5=C(C=C(C=C5)O)O
InChI
InChI=1S/C34H24O6/c35-20-24-8-17-31(30-18-15-28(39)19-32(30)40)34(29(24)16-3-21-1-9-25(36)10-2-21)33(22-4-11-26(37)12-5-22)23-6-13-27(38)14-7-23/h1-2,4-15,17-19,35-37,39-40H,20H2
InChIKey
MTFKAPLXLHFEPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.03
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
5
Molar refractivity
152.63
TPSA
118.22

LogP / Solubility

WLOGP
5.57
MLOGP
4.94
XLogP3
5.9
Consensus LogP
5.47
Log S (ESOL)
-6.8
Class (ESOL)
Insoluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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