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CAS 6170-06-5 alizarin 1-methyl ether molecular structure lightbox
CAS RN: 6170-06-5

alizarin 1-methyl ether

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260427 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS6170-06-5
  • Purity/Analytical Methods: >99.0%
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6170-06-5 / 2-hydroxy-1-methoxyanthracene-9,10-dione

Standard CAS: 6170-06-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6170-06-5
Multi CAS
Yes
Molecular Formula
C15H10O4
Molecular Weight
254.240000
Exact Mass
254.057909
InChI
InChI=1S/C15H10O4/c1-19-15-11(16)7-6-10-12(15)14(18)9-5-3-2-4-8(9)13(10)17/h2-7,16H,1H3
InChIKey
VRGZEPNGEFBVIZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.97
TPSA
63.6

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2.5
Consensus LogP
2.2
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.73

Drug-likeness / Medicinal Chemistry

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

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