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CAS 340997-02-6 2”,3”-Dihydroochnaflavone molecular structure lightbox
CAS RN: 340997-02-6

2”,3”-Dihydroochnaflavone

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250202 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS340997-02-6
  • Purity/Analytical Methods: >99.0%
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340997-02-6 / 2-[3-[4-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one

Standard CAS: 340997-02-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
340997-02-6
Multi CAS
Yes
Molecular Formula
C30H20O10
Molecular Weight
540.500000
Exact Mass
540.105647
InChI
InChI=1S/C30H20O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-11,13,24,31-35H,12H2/t24-/m0/s1
InChIKey
VNCWZYPKAQUABQ-DEOSSOPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
28
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
5
Molar refractivity
141.52
TPSA
166.89

LogP / Solubility

WLOGP
5.49
MLOGP
4.87
XLogP3
5
Consensus LogP
5.12
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-7.95
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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