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CAS 27770-13-4 5-Hydroxy-1-methoxyxanthone molecular structure lightbox
CAS RN: 27770-13-4

5-Hydroxy-1-methoxyxanthone

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260401 5mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260202 5mg Out of stock Inquiry
  • Product code: starshine_CAS27770-13-4
  • Purity/Analytical Methods: >99.0%
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27770-13-4 / 5-hydroxy-1-methoxyxanthen-9-one

Standard CAS: 27770-13-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27770-13-4
Multi CAS
No
Molecular Formula
C14H10O4
Molecular Weight
242.230000
Exact Mass
242.057909
InChI
InChI=1S/C14H10O4/c1-17-10-6-3-7-11-12(10)13(16)8-4-2-5-9(15)14(8)18-11/h2-7,15H,1H3
InChIKey
GCAMSSLNXVYMKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
14
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.21
TPSA
59.67

LogP / Solubility

WLOGP
2.66
MLOGP
2.35
XLogP3
2.6
Consensus LogP
2.54
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

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

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