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CAS 67858-30-4 2-(3,4,5-TriMethoxyphenyl)-4H-chroMen-4-one molecular structure lightbox
CAS RN: 67858-30-4

2-(3,4,5-TriMethoxyphenyl)-4H-chroMen-4-one

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260322 10mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250904 100mg Out of stock Inquiry
  • Product code: starshine_CAS67858-30-4
  • Purity/Analytical Methods: >99.0%
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67858-30-4 / 2-(3,4,5-trimethoxyphenyl)chromen-4-one

Standard CAS: 67858-30-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
67858-30-4
Multi CAS
No
Molecular Formula
C18H16O5
Molecular Weight
312.300000
Exact Mass
312.099774
InChI
InChI=1S/C18H16O5/c1-20-16-8-11(9-17(21-2)18(16)22-3)15-10-13(19)12-6-4-5-7-14(12)23-15/h4-10H,1-3H3
InChIKey
QCXAJQVDUHKDEL-UHFFFAOYSA-N

Physical Properties

Melting Point
175 - 176 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
87.58
TPSA
57.9

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
3.5
Consensus LogP
3.36
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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