[email protected]
CAS 202846-95-5 8-Hydroxy-3,5,7,3′,4′,5′-hexamethoxyflavone molecular structure lightbox
CAS RN: 202846-95-5

8-Hydroxy-3,5,7,3′,4′,5′-hexamethoxyflavone

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260404 5mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251030 5mg Out of stock Inquiry
  • Product code: starshine_CAS202846-95-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

202846-95-5 / 8-hydroxy-3,5,7-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

Standard CAS: 202846-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
202846-95-5
Multi CAS
No
Molecular Formula
C21H22O9
Molecular Weight
418.400000
Exact Mass
418.126382
SMILES
COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C(=C(C=C3OC)OC)O)OC
InChI
InChI=1S/C21H22O9/c1-24-11-9-12(25-2)16(22)20-15(11)17(23)21(29-6)18(30-20)10-7-13(26-3)19(28-5)14(8-10)27-4/h7-9,22H,1-6H3
InChIKey
VZZSHWGQMLXLPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
1
Molar refractivity
108.9
TPSA
105.82

LogP / Solubility

WLOGP
3.22
MLOGP
2.86
XLogP3
2.9
Consensus LogP
2.99
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
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)
-2.99

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