CAS RN: 82-18-8
1,5-DIBENZAMIDOANTHRAQUINONE
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.20251003 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS82-18-8
- Purity/Analytical Methods: >99.0%
82-18-8 / N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide
Basic Information
CAS
82-18-8
Multi CAS
No
Molecular Formula
C28H18N2O4
Molecular Weight
446.500000
Exact Mass
446.126657
InChI
InChI=1S/C28H18N2O4/c31-25-20-14-8-16-22(30-28(34)18-11-5-2-6-12-18)24(20)26(32)19-13-7-15-21(23(19)25)29-27(33)17-9-3-1-4-10-17/h1-16H,(H,29,33)(H,30,34)
InChIKey
PZNXLZZWWBSQQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
128.54
TPSA
92.34
LogP / Solubility
WLOGP
4.97
MLOGP
4.4
XLogP3
5.6
Consensus LogP
4.99
Log S (ESOL)
-6
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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