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CAS 28610-31-3 Desmethylanhydroicaritin molecular structure lightbox
CAS RN: 28610-31-3

Desmethylanhydroicaritin

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250108 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS28610-31-3
  • Purity/Analytical Methods: >99.0%
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28610-31-3 / 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one

Standard CAS: 28610-31-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28610-31-3
Multi CAS
Yes
Molecular Formula
C20H18O6
Molecular Weight
354.400000
Exact Mass
354.110338
InChI
InChI=1S/C20H18O6/c1-10(2)3-8-13-14(22)9-15(23)16-17(24)18(25)19(26-20(13)16)11-4-6-12(21)7-5-11/h3-7,9,21-23,25H,8H2,1-2H3
InChIKey
NADCVNHITZNGJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.15
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
97.71
TPSA
111.13

LogP / Solubility

WLOGP
3.79
MLOGP
3.35
XLogP3
4.4
Consensus LogP
3.85
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
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)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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