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CAS 486-21-5 Isofraxidin molecular structure lightbox
CAS RN: 486-21-5

Isofraxidin

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260217 100mg In stock Shanghai Inquiry
Batchno.20251016 1g Out of stock Inquiry
Batchno.20250316 250mg In stock Shanghai Inquiry
Batchno.20250917 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250730 20mg In stock Inquiry
Batchno.20260517 5mg In stock Inquiry
  • Product code: starshine_CAS486-21-5
  • Purity/Analytical Methods: >99.0%
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486-21-5 / 7-hydroxy-6,8-dimethoxychromen-2-one

Standard CAS: 486-21-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
486-21-5
Multi CAS
No
Molecular Formula
C11H10O5
Molecular Weight
222.190000
Exact Mass
222.052823
InChI
InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3
InChIKey
HOEVRHHMDJKUMZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
57.25
TPSA
68.9

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.5
Consensus LogP
1.45
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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