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CAS 64894-83-3 p-(9-Acridinylamino)benzoic acid molecular structure lightbox
CAS RN: 64894-83-3

p-(9-Acridinylamino)benzoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260427 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS64894-83-3
  • Purity/Analytical Methods: >99.0%
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64894-83-3 / 4-(acridin-9-ylamino)benzoic acid

Standard CAS: 64894-83-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64894-83-3
Multi CAS
No
Molecular Formula
C20H14N2O2
Molecular Weight
314.300000
Exact Mass
314.105528
InChI
InChI=1S/C20H14N2O2/c23-20(24)13-9-11-14(12-10-13)21-19-15-5-1-3-7-17(15)22-18-8-4-2-6-16(18)19/h1-12H,(H,21,22)(H,23,24)
InChIKey
FNNMCOQMDNRQHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
20
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
95.93
TPSA
62.22

LogP / Solubility

WLOGP
4.83
MLOGP
4.26
XLogP3
4.6
Consensus LogP
4.56
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
Class (SILICOS-IT)
Insoluble

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)
-1.21

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
No
Synthetic Accessibility
3

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