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CAS 521-34-6 SCIADOPITYSIN molecular structure lightbox
CAS RN: 521-34-6

SCIADOPITYSIN

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260330 10mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS521-34-6
  • Purity/Analytical Methods: >99.0%
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521-34-6 / 5,7-dihydroxy-8-[5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-one

Standard CAS: 521-34-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
521-34-6
Multi CAS
No
Molecular Formula
C33H24O10
Molecular Weight
580.500000
Exact Mass
580.136947
InChI
InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3
InChIKey
YCXRBCHEOFVYEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
32
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
3
Molar refractivity
159.48
TPSA
148.8

LogP / Solubility

WLOGP
6.04
MLOGP
5.36
XLogP3
6
Consensus LogP
5.8
Log S (ESOL)
-7.4
Class (ESOL)
Insoluble
Log S (Ali)
-8.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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