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CAS 3542-72-1 norathyriol molecular structure lightbox
CAS RN: 3542-72-1

norathyriol

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8 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260308 25mg Out of stock 30 business days Inquiry
Batchno.20250623 5mg In stock Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260203 100mg Out of stock Inquiry
Batchno.20250131 10mg In stock Shanghai Inquiry
Batchno.20250805 1mg In stock Shanghai Inquiry
Batchno.20250718 25mg In stock Shanghai Inquiry
Batchno.20250912 50mg Out of stock Inquiry
Batchno.20250224 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS3542-72-1
  • Purity/Analytical Methods: >99.0%
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3542-72-1 / 1,3,6,7-tetrahydroxyxanthen-9-one

Standard CAS: 3542-72-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3542-72-1
Multi CAS
No
Molecular Formula
C13H8O6
Molecular Weight
260.200000
Exact Mass
260.032088
InChI
InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H
InChIKey
ZHTQCPCDXKMMLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
14
H-bond acceptors
6
H-bond donors
4
Molar refractivity
66.65
TPSA
111.13

LogP / Solubility

WLOGP
1.77
MLOGP
1.56
XLogP3
2.1
Consensus LogP
1.81
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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