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CAS 99119-73-0 Kushenol C molecular structure lightbox
CAS RN: 99119-73-0

Kushenol C

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250314 1mg / 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS99119-73-0
  • Purity/Analytical Methods: >99.0%
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99119-73-0 / 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)chromen-4-one

Standard CAS: 99119-73-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99119-73-0
Multi CAS
Yes
Molecular Formula
C25H26O7
Molecular Weight
438.500000
Exact Mass
438.167853
InChI
InChI=1S/C25H26O7/c1-12(2)5-6-14(13(3)4)9-17-19(28)11-20(29)21-22(30)23(31)25(32-24(17)21)16-8-7-15(26)10-18(16)27/h5,7-8,10-11,14,26-29,31H,3,6,9H2,1-2,4H3/t14-/m1/s1
InChIKey
WAAPHYJTKSTXSX-CQSZACIVSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
5
Molar refractivity
122.3
TPSA
131.36

LogP / Solubility

WLOGP
5.08
MLOGP
4.5
XLogP3
5.3
Consensus LogP
4.96
Log S (ESOL)
-5.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.79

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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