CAS RN: 491-74-7

C10465

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260525 100mg Out of stock Inquiry
Batchno.20260404 10mg In stock Shanghai Inquiry
Batchno.20250927 1mg In stock Shanghai Inquiry
Batchno.20260415 25mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS491-74-7
  • Purity/Analytical Methods: >99.0%
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491-74-7 / 5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Standard CAS: 491-74-7 Multi CAS: Yes

Basic Information

CAS
491-74-7
Multi CAS
Yes
Molecular Formula
C24H26O13
Molecular Weight
522.500000
Exact Mass
522.137341
InChI
InChI=1S/C24H26O13/c1-32-13-5-9(4-11(26)22(13)33-2)10-8-35-12-6-14(23(34-3)19(29)16(12)17(10)27)36-24-21(31)20(30)18(28)15(7-25)37-24/h4-6,8,15,18,20-21,24-26,28-31H,7H2,1-3H3/t15-,18-,20+,21-,24-/m1/s1
InChIKey
LNQCUTNLHUQZLR-OZJWLQQPSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
16
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
13
H-bond donors
6
Molar refractivity
125.3
TPSA
197.74

LogP / Solubility

WLOGP
0.08
MLOGP
0.11
XLogP3
0.8
Consensus LogP
0.33
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-5.85

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7

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