[email protected]
CAS 206121-28-0 3,6-DIMETHOXYFLAVONE molecular structure lightbox
CAS RN: 206121-28-0

3,6-DIMETHOXYFLAVONE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS206121-28-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

206121-28-0 / 3,6-dimethoxy-2-phenylchromen-4-one

Standard CAS: 206121-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206121-28-0
Multi CAS
No
Molecular Formula
C17H14O4
Molecular Weight
282.290000
Exact Mass
282.089209
SMILES
COC1=CC2=C(C=C1)OC(=C(C2=O)OC)C3=CC=CC=C3
InChI
InChI=1S/C17H14O4/c1-19-12-8-9-14-13(10-12)15(18)17(20-2)16(21-14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKey
BZKORUNDAHVLAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
81.02
TPSA
48.67

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
3.7
Consensus LogP
3.42
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us