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CAS 97126-57-3 6-Geranylnaringenin molecular structure lightbox
CAS RN: 97126-57-3

6-Geranylnaringenin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250318 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS97126-57-3
  • Purity/Analytical Methods: >99.0%
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97126-57-3 / (2S)-6-(3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

Standard CAS: 97126-57-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97126-57-3
Multi CAS
Yes
Molecular Formula
C25H28O5
Molecular Weight
408.500000
Exact Mass
408.193674
InChI
InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1
InChIKey
XYIQIBWIEGCVQY-RWHUQTJRSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
116.32
TPSA
86.99

LogP / Solubility

WLOGP
5.75
MLOGP
5.08
XLogP3
6.2
Consensus LogP
5.68
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.8
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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