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CAS 80510-05-0 EUCHRESTAFLAVANONE-A molecular structure lightbox
CAS RN: 80510-05-0

EUCHRESTAFLAVANONE-A

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Batchno.20260223 2mg Out of stock Inquiry
  • Product code: starshine_CAS80510-05-0
  • Purity/Analytical Methods: >99.0%
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80510-05-0 / (2S)-5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Standard CAS: 80510-05-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80510-05-0
Multi CAS
Yes
Molecular Formula
C25H28O5
Molecular Weight
408.500000
Exact Mass
408.193674
InChI
InChI=1S/C25H28O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)23-13-22(29)24-21(28)12-20(27)18(25(24)30-23)9-6-15(3)4/h5-6,8,10-12,23,26-28H,7,9,13H2,1-4H3/t23-/m0/s1
InChIKey
BMIMEYWWZBBDCM-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
116.46
TPSA
86.99

LogP / Solubility

WLOGP
5.53
MLOGP
4.89
XLogP3
6.2
Consensus LogP
5.54
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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