[email protected]
CAS 21634-52-6 3,3′,4′,5,5′,7,8-Heptamethoxyflavone molecular structure lightbox
CAS RN: 21634-52-6

3,3′,4′,5,5′,7,8-Heptamethoxyflavone

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260614 5mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260202 5mg Out of stock Inquiry
  • Product code: starshine_CAS21634-52-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

21634-52-6 / 3,5,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Standard CAS: 21634-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21634-52-6
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(O2)C(=C(C=C3OC)OC)OC)OC
InChI
InChI=1S/C22H24O9/c1-24-12-10-15(27-4)20(29-6)21-16(12)17(23)22(30-7)18(31-21)11-8-13(25-2)19(28-5)14(9-11)26-3/h8-10H,1-7H3
InChIKey
AFQWYRUBZJYCIF-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

Customers Also Viewed

Get In Touch

Contact Us