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CAS 491-69-0 Isosakuranin molecular structure lightbox
CAS RN: 491-69-0

Isosakuranin

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 100mg Out of stock Inquiry
Batchno.20260123 10mg In stock Shanghai Inquiry
Batchno.20251223 25mg In stock Shanghai Inquiry
Batchno.20260204 50mg Out of stock Inquiry
  • Product code: starshine_CAS491-69-0
  • Purity/Analytical Methods: >99.0%
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491-69-0 / 5-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Standard CAS: 491-69-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
491-69-0
Multi CAS
Yes
Molecular Formula
C22H24O10
Molecular Weight
448.400000
Exact Mass
448.136947
InChI
InChI=1S/C22H24O10/c1-29-11-4-2-10(3-5-11)15-8-14(25)18-13(24)6-12(7-16(18)31-15)30-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,15,17,19-24,26-28H,8-9H2,1H3
InChIKey
KEEWIHDTSNESJZ-UHFFFAOYSA-N

Physical Properties

Melting Point
214 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
5
Molar refractivity
107.81
TPSA
155.14

LogP / Solubility

WLOGP
0.29
MLOGP
0.28
XLogP3
0.9
Consensus LogP
0.49
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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