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CAS 74161-25-4 3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one molecular structure lightbox
CAS RN: 74161-25-4

3-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 5mg Out of stock Inquiry
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Batchno.20250406 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS74161-25-4
  • Purity/Analytical Methods: >99.0%
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74161-25-4 / 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one

Standard CAS: 74161-25-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74161-25-4
Multi CAS
Yes
Molecular Formula
C20H18O6
Molecular Weight
354.400000
Exact Mass
354.110338
InChI
InChI=1S/C20H18O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3
InChIKey
RWDSADRZXTYPMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
97.71
TPSA
111.13

LogP / Solubility

WLOGP
3.79
MLOGP
3.35
XLogP3
4.2
Consensus LogP
3.78
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

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)
-2.19

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
2.5

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