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CAS 491-54-3 Kaempferide molecular structure lightbox
CAS RN: 491-54-3

Kaempferide

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250824 100mg In stock Shanghai Inquiry
Batchno.20250613 1g In stock Shanghai Inquiry
Batchno.20251103 1mg In stock Shanghai Inquiry
Batchno.20251023 250mg In stock Shanghai Inquiry
Batchno.20250227 50mg In stock Shanghai Inquiry
  • Product code: ICTK0057
  • Purity/Analytical Methods: >96.0%(GC)
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491-54-3 / 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one

Standard CAS: 491-54-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
491-54-3
Multi CAS
Yes
Molecular Formula
C16H12O6
Molecular Weight
300.260000
Exact Mass
300.063388
InChI
InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
InChIKey
SQFSKOYWJBQGKQ-UHFFFAOYSA-N

Physical Properties

Melting Point
227 - 229 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
79.47
TPSA
100.13

LogP / Solubility

WLOGP
2.59
MLOGP
2.29
XLogP3
2.2
Consensus LogP
2.36
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

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

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