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CAS 1245-15-4 QUERCETIN-3,7,3′,4′-TETRAMETHYL ETHER molecular structure lightbox
CAS RN: 1245-15-4

QUERCETIN-3,7,3′,4′-TETRAMETHYL ETHER

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4 package records0 with current stock2 grade groups
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Batchno.20250726 10mg Out of stock Inquiry
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Batchno.20260410 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1245-15-4
  • Purity/Analytical Methods: >99.0%
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1245-15-4 / 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one

Standard CAS: 1245-15-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1245-15-4
Multi CAS
No
Molecular Formula
C19H18O7
Molecular Weight
358.300000
Exact Mass
358.105253
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC
InChI
InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
InChIKey
HHGPYJLEJGNWJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
95.79
TPSA
87.36

LogP / Solubility

WLOGP
3.2
MLOGP
2.84
XLogP3
3.5
Consensus LogP
3.18
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
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
Yes
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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