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CAS 10173-01-0 3,3′,6-Trimethoxy-4′,5,7-trihydroxyflavone molecular structure lightbox
CAS RN: 10173-01-0

3,3′,6-Trimethoxy-4′,5,7-trihydroxyflavone

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250621 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS10173-01-0
  • Purity/Analytical Methods: >99.0%
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10173-01-0 / 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one

Jaceidin | 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one | 5,7,4'-Trihydroxy-3,6,3'-trimethoxyflavone

Standard CAS: 10173-01-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
10173-01-0
Multi CAS
No
Molecular Formula
C18H16O8
Molecular Weight
360.300000
Exact Mass
360.084517
SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O
InChI
InChI=1S/C18H16O8/c1-23-11-6-8(4-5-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3
InChIKey
XUWTZJRCCPNNJR-UHFFFAOYSA-N
Synonyms
Jaceidin 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6-dimethoxychromen-4-one 5,7,4'-Trihydroxy-3,6,3'-trimethoxyflavone DTXSID30144148 RefChem:150298

Physical Properties

Melting Point
130 - 135 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
3
Molar refractivity
92.57
TPSA
118.59

LogP / Solubility

WLOGP
2.6
MLOGP
2.31
XLogP3
2.8
Consensus LogP
2.57
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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)
-3.07

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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