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CAS 1178-24-1 3,3′,4′,5,6,7,8-Heptamethoxyflavone molecular structure lightbox
CAS RN: 1178-24-1

3,3′,4′,5,6,7,8-Heptamethoxyflavone

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7 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260414 1mg / 5mg / 25mg Confirm by inquiry Shanghai, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260415 5mg / 25mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251216 10mg In stock Shanghai Inquiry
Batchno.20250821 1mg Out of stock Inquiry
Batchno.20250505 25mg In stock Shanghai Inquiry
Batchno.20250420 50mg Out of stock Inquiry
Batchno.20250131 5mg Out of stock Inquiry
  • Product code: LINH890568
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1178-24-1 / 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxychromen-4-one

3,3',4',5,6,7,8-Heptamethoxyflavone | 3,5,6,7,8,3',4'-Heptamethoxyflavone | 3-Hptmf

Standard CAS: 1178-24-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
1178-24-1
Multi CAS
No
Molecular Formula
C22H24O9
Molecular Weight
432.400000
Exact Mass
432.142032
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC
InChI
InChI=1S/C22H24O9/c1-24-12-9-8-11(10-13(12)25-2)16-19(27-4)15(23)14-17(26-3)20(28-5)22(30-7)21(29-6)18(14)31-16/h8-10H,1-7H3
InChIKey
SSXJHQZOHUYEGD-UHFFFAOYSA-N
Synonyms
3,3',4',5,6,7,8-Heptamethoxyflavone 3,5,6,7,8,3',4'-Heptamethoxyflavone 3-Hptmf Hepta-3 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,6,7,8-pentamethoxy-

Physical Properties

Melting Point
129 - 131 °C
Physical Description
Solid
State
Solid

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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