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CAS 55812-91-4 3′-O-Methyltaxifolin molecular structure lightbox
CAS RN: 55812-91-4

3′-O-Methyltaxifolin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250620 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS55812-91-4
  • Purity/Analytical Methods: >99.0%
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55812-91-4 / (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one

Standard CAS: 55812-91-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55812-91-4
Multi CAS
Yes
Molecular Formula
C16H14O7
Molecular Weight
318.280000
Exact Mass
318.073953
InChI
InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3/t15-,16+/m0/s1
InChIKey
JWYULKXTGMJKKM-JKSUJKDBSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
4
Molar refractivity
78.14
TPSA
116.45

LogP / Solubility

WLOGP
1.49
MLOGP
1.32
XLogP3
1.8
Consensus LogP
1.54
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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