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CAS 5240-95-9 NOR-ICARITIN molecular structure lightbox
CAS RN: 5240-95-9

NOR-ICARITIN

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250622 100mg In stock Shandong Inquiry
Batchno.20250606 20mg In stock Shandong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250209 5mg Out of stock Inquiry
  • Product code: starshine_CAS5240-95-9
  • Purity/Analytical Methods: >99.0%
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5240-95-9 / 3,5,7-trihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)chromen-4-one

Standard CAS: 5240-95-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5240-95-9
Multi CAS
Yes
Molecular Formula
C20H20O7
Molecular Weight
372.400000
Exact Mass
372.120903
InChI
InChI=1S/C20H20O7/c1-20(2,26)8-7-12-13(22)9-14(23)15-16(24)17(25)18(27-19(12)15)10-3-5-11(21)6-4-10/h3-6,9,21-23,25-26H,7-8H2,1-2H3
InChIKey
CTGVBHDTGZUEJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
5
Molar refractivity
99.2
TPSA
131.36

LogP / Solubility

WLOGP
2.99
MLOGP
2.65
XLogP3
3.1
Consensus LogP
2.91
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-2.87

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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