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CAS 151455-25-3 2”,3”-Dihydro-3′,3”’-biapigenin molecular structure lightbox
CAS RN: 151455-25-3

2”,3”-Dihydro-3′,3”’-biapigenin

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS151455-25-3
  • Purity/Analytical Methods: >99.0%
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151455-25-3 / 2-[3-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenyl]-4-hydroxyphenyl]-5,7-dihydroxychromen-4-one

Standard CAS: 151455-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151455-25-3
Multi CAS
No
Molecular Formula
C30H20O10
Molecular Weight
540.500000
Exact Mass
540.105647
SMILES
C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
InChI
InChI=1S/C30H20O10/c31-15-7-21(35)29-23(37)11-25(39-27(29)9-15)13-1-3-19(33)17(5-13)18-6-14(2-4-20(18)34)26-12-24(38)30-22(36)8-16(32)10-28(30)40-26/h1-11,26,31-36H,12H2/t26-/m0/s1
InChIKey
VKNCMGHBUDEFFY-SANMLTNESA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
28
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
6
Molar refractivity
142.1
TPSA
177.89

LogP / Solubility

WLOGP
5.07
MLOGP
4.5
XLogP3
4.8
Consensus LogP
4.79
Log S (ESOL)
-6.7
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
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)
-2.42

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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