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CAS 17245-30-6 3′,4′,5′,3,5,6,7-Heptamethoxyflavone molecular structure lightbox
CAS RN: 17245-30-6

3′,4′,5′,3,5,6,7-Heptamethoxyflavone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251019 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS17245-30-6
  • Purity/Analytical Methods: >99.0%
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17245-30-6 / 3,5,6,7-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Standard CAS: 17245-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17245-30-6
Multi CAS
No
Molecular Formula
C22H24O9
Molecular Weight
432.400000
Exact Mass
432.142032
SMILES
COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC
InChI
InChI=1S/C22H24O9/c1-24-13-8-11(9-14(25-2)19(13)27-4)18-22(30-7)17(23)16-12(31-18)10-15(26-3)20(28-5)21(16)29-6/h8-10H,1-7H3
InChIKey
SHRSLVWLFNSTLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
9
Molar refractivity
113.78
TPSA
94.82

LogP / Solubility

WLOGP
3.52
MLOGP
3.13
XLogP3
3.2
Consensus LogP
3.28
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
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)
-2.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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