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CAS 1879030-01-9 4’-hydroxy-6,7,8,3’-tetramethoxyflavonol molecular structure lightbox
CAS RN: 1879030-01-9

4’-hydroxy-6,7,8,3’-tetramethoxyflavonol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260129 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1879030-01-9
  • Purity/Analytical Methods: >99.0%
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1879030-01-9 / 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7,8-trimethoxychromen-4-one

Standard CAS: 1879030-01-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1879030-01-9
Multi CAS
No
Molecular Formula
C19H18O8
Molecular Weight
374.300000
Exact Mass
374.100168
SMILES
COC1=C(C=CC(=C1)C2=C(C(=O)C3=CC(=C(C(=C3O2)OC)OC)OC)O)O
InChI
InChI=1S/C19H18O8/c1-23-12-7-9(5-6-11(12)20)16-15(22)14(21)10-8-13(24-2)18(25-3)19(26-4)17(10)27-16/h5-8,20,22H,1-4H3
InChIKey
WZBSKSHQKMJJHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
97.46
TPSA
107.59

LogP / Solubility

WLOGP
2.91
MLOGP
2.58
XLogP3
2.6
Consensus LogP
2.7
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
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)
-2.94

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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