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CAS 345909-34-4 FISETIN HYDRATE molecular structure lightbox
CAS RN: 345909-34-4

FISETIN HYDRATE

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250216 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250330 1g In stock Shanghai Inquiry
Batchno.20250531 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250325 5g In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS345909-34-4
  • Purity/Analytical Methods: >99.0%
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345909-34-4 / 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one

Standard CAS: 345909-34-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
345909-34-4
Multi CAS
Yes
Molecular Formula
C15H10O6
Molecular Weight
286.240000
Exact Mass
286.047738
InChI
InChI=1S/C15H10O6.H2O/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7;/h1-6,16-18,20H;1H2
InChIKey
GYHFUROKCOMWNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
74.58
TPSA
111.13

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
2
Consensus LogP
2.1
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly 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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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