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CAS 206560-99-8 5,4′-Dihydroxy-6-methyl-7-methoxyflavanone molecular structure lightbox
CAS RN: 206560-99-8

5,4′-Dihydroxy-6-methyl-7-methoxyflavanone

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2 package records0 with current stock2 grade groups
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Batchno.20250118 5mg Out of stock Inquiry
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Batchno.20250519 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS206560-99-8
  • Purity/Analytical Methods: >99.0%
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206560-99-8 / (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-methyl-2,3-dihydrochromen-4-one

Standard CAS: 206560-99-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206560-99-8
Multi CAS
No
Molecular Formula
C17H16O5
Molecular Weight
300.300000
Exact Mass
300.099774
SMILES
CC1=C(C=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)OC
InChI
InChI=1S/C17H16O5/c1-9-13(21-2)8-15-16(17(9)20)12(19)7-14(22-15)10-3-5-11(18)6-4-10/h3-6,8,14,18,20H,7H2,1-2H3/t14-/m0/s1
InChIKey
LNRAFJFUMJDPEP-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
79.82
TPSA
75.99

LogP / Solubility

WLOGP
3.12
MLOGP
2.76
XLogP3
3.1
Consensus LogP
2.99
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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