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CAS 68097-13-2 4′,5,7-Trihydroxy-6-prenylflavone molecular structure lightbox
CAS RN: 68097-13-2

4′,5,7-Trihydroxy-6-prenylflavone

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251208 1mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251224 25mg In stock Shanghai Inquiry
Batchno.20260417 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS68097-13-2
  • Purity/Analytical Methods: >99.0%
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68097-13-2 / 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one

Standard CAS: 68097-13-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
68097-13-2
Multi CAS
No
Molecular Formula
C20H18O5
Molecular Weight
338.400000
Exact Mass
338.115424
InChI
InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9-10,21-22,24H,8H2,1-2H3
InChIKey
VJDRSTHNWHVTNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
96.05
TPSA
90.9

LogP / Solubility

WLOGP
4.09
MLOGP
3.61
XLogP3
3.7
Consensus LogP
3.8
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
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
No
Log Kp (skin permeation)
-1.88

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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