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CAS 261776-60-7 6-Methyl-8-prenylnaringenin molecular structure lightbox
CAS RN: 261776-60-7

6-Methyl-8-prenylnaringenin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS261776-60-7
  • Purity/Analytical Methods: >99.0%
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261776-60-7 / (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Standard CAS: 261776-60-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
261776-60-7
Multi CAS
No
Molecular Formula
C21H22O5
Molecular Weight
354.400000
Exact Mass
354.146724
SMILES
CC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)CC=C(C)C)O
InChI
InChI=1S/C21H22O5/c1-11(2)4-9-15-19(24)12(3)20(25)18-16(23)10-17(26-21(15)18)13-5-7-14(22)8-6-13/h4-8,17,22,24-25H,9-10H2,1-3H3/t17-/m0/s1
InChIKey
MWEMUFLDDBSWRI-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
98.07
TPSA
86.99

LogP / Solubility

WLOGP
4.33
MLOGP
3.83
XLogP3
4.7
Consensus LogP
4.29
Log S (ESOL)
-4.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
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)
-1.81

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
3

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