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CAS 1351338-14-1 7,2′-Dihydroxy-5,8-diMethoxyflavanone molecular structure lightbox
CAS RN: 1351338-14-1

7,2′-Dihydroxy-5,8-diMethoxyflavanone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250215 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1351338-14-1
  • Purity/Analytical Methods: >99.0%
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1351338-14-1 / 7-hydroxy-2-(2-hydroxyphenyl)-5,8-dimethoxy-2,3-dihydrochromen-4-one

Standard CAS: 1351338-14-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1351338-14-1
Multi CAS
No
Molecular Formula
C17H16O6
Molecular Weight
316.300000
Exact Mass
316.094688
SMILES
COC1=C2C(=O)CC(OC2=C(C(=C1)O)OC)C3=CC=CC=C3O
InChI
InChI=1S/C17H16O6/c1-21-14-8-12(20)16(22-2)17-15(14)11(19)7-13(23-17)9-5-3-4-6-10(9)18/h3-6,8,13,18,20H,7H2,1-2H3
InChIKey
SJYKCNDMHBDJEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
81.63
TPSA
85.22

LogP / Solubility

WLOGP
2.82
MLOGP
2.5
XLogP3
2.1
Consensus LogP
2.47
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
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
No
Log Kp (skin permeation)
-2.65

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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