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CAS 17290-70-9 6-Demethoxylnobiletin molecular structure lightbox
CAS RN: 17290-70-9

6-Demethoxylnobiletin

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7 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250827 100mg Out of stock Inquiry
Batchno.20250806 10mg In stock Shanghai Inquiry
Batchno.20260530 1mg In stock Shanghai Inquiry
Batchno.20250705 250mg Out of stock Inquiry
Batchno.20251010 25mg In stock Shanghai Inquiry
Batchno.20250122 50mg In stock Shanghai Inquiry
Batchno.20250105 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS17290-70-9
  • Purity/Analytical Methods: >99.0%
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17290-70-9 / 2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxychromen-4-one

Standard CAS: 17290-70-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
17290-70-9
Multi CAS
No
Molecular Formula
C20H20O7
Molecular Weight
372.400000
Exact Mass
372.120903
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)OC)OC
InChI
InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(24-3)10-17(25-4)19(26-5)20(18)27-14/h6-10H,1-5H3
InChIKey
UYCWETIUOAGWIL-UHFFFAOYSA-N

Physical Properties

Melting Point
206 - 207 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
100.68
TPSA
76.36

LogP / Solubility

WLOGP
3.5
MLOGP
3.1
XLogP3
3
Consensus LogP
3.2
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5

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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