CAS RN: 117-06-6
1-AMINO-5-BENZOYLAMINOANTHRAQUINONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250415 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS117-06-6
- Purity/Analytical Methods: >99.0%
117-06-6 / N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide
1-Amino-4-benzamidoanthraquinone | Corinth flour | 4-Amino-1-benzoylaminoanthraquinone
Basic Information
CAS
117-06-6
Multi CAS
Yes
Molecular Formula
C21H14N2O3
Molecular Weight
342.300000
Exact Mass
342.100442
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)N
InChI
InChI=1S/C21H14N2O3/c22-15-10-4-8-13-17(15)19(24)14-9-5-11-16(18(14)20(13)25)23-21(26)12-6-2-1-3-7-12/h1-11H,22H2,(H,23,26)
InChIKey
FWEQPMZEKHHFTB-UHFFFAOYSA-N
Synonyms
1-Amino-4-benzamidoanthraquinone
Corinth flour
4-Amino-1-benzoylaminoanthraquinone
Anthraquinone, 1-amino-4-benzamido-
N-(4-Aminoanthraquinonyl)benzamide
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
98.56
TPSA
89.26
LogP / Solubility
WLOGP
3.3
MLOGP
2.92
XLogP3
4.1
Consensus LogP
3.44
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
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
3
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