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CAS 527-95-7 Herbacetin molecular structure lightbox
CAS RN: 527-95-7

Herbacetin

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260512 100mg In stock Shanghai Inquiry
Batchno.20250819 10mg In stock Shanghai Inquiry
Batchno.20250620 1mg In stock Shanghai Inquiry
Batchno.20260101 250mg In stock Shanghai Inquiry
Batchno.20251129 25mg In stock Shanghai Inquiry
Batchno.20250705 50mg In stock Shanghai Inquiry
Batchno.20260329 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS527-95-7
  • Purity/Analytical Methods: >99.0%
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527-95-7 / 3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one

Standard CAS: 527-95-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
527-95-7
Multi CAS
Yes
Molecular Formula
C15H10O7
Molecular Weight
302.230000
Exact Mass
302.042653
InChI
InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H
InChIKey
ZDOTZEDNGNPOEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
7
H-bond donors
5
Molar refractivity
76.24
TPSA
131.36

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
2.2
Consensus LogP
1.98
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

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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