[email protected]
CAS 52869-18-8 N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamide molecular structure lightbox
CAS RN: 52869-18-8

N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)benzamide

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260119 5mg / 25mg / 100mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS52869-18-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

52869-18-8 / N-(9,10-dioxoanthracen-2-yl)benzamide

Standard CAS: 52869-18-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52869-18-8
Multi CAS
No
Molecular Formula
C21H13NO3
Molecular Weight
327.300000
Exact Mass
327.089543
InChI
InChI=1S/C21H13NO3/c23-19-15-8-4-5-9-16(15)20(24)18-12-14(10-11-17(18)19)22-21(25)13-6-2-1-3-7-13/h1-12H,(H,22,25)
InChIKey
SIGATAYQAZTAOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
94.14
TPSA
63.24

LogP / Solubility

WLOGP
3.71
MLOGP
3.28
XLogP3
3.7
Consensus LogP
3.56
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08

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

Customers Also Viewed

Get In Touch

Contact Us