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CAS 3682-04-0 Naringenin triacetate molecular structure lightbox
CAS RN: 3682-04-0

Naringenin triacetate

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6 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 1mg / 5mg / 10mg Confirm by inquiry Shanghai Inquiry
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Batchno.20251028 10mg Out of stock Inquiry
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  • Product code: starshine_CAS3682-04-0
  • Purity/Analytical Methods: >99.0%
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3682-04-0 / [4-(5,7-diacetyloxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] acetate

Standard CAS: 3682-04-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3682-04-0
Multi CAS
Yes
Molecular Formula
C21H18O8
Molecular Weight
398.400000
Exact Mass
398.100168
InChI
InChI=1S/C21H18O8/c1-11(22)26-15-6-4-14(5-7-15)18-10-17(25)21-19(28-13(3)24)8-16(27-12(2)23)9-20(21)29-18/h4-9,18H,10H2,1-3H3
InChIKey
HQZXCNZZVRAEPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
99.13
TPSA
105.2

LogP / Solubility

WLOGP
3.17
MLOGP
2.81
XLogP3
2.2
Consensus LogP
2.73
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
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)
-2.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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