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CAS 31327-97-6 Acridine-4-carboxylic acid molecular structure lightbox
CAS RN: 31327-97-6

Acridine-4-carboxylic acid

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260312 100mg In stock Chengdu Inquiry
Batchno.20260216 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260624 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251015 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS31327-97-6
  • Purity/Analytical Methods: >99.0%
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31327-97-6 / acridine-4-carboxylic acid

Standard CAS: 31327-97-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31327-97-6
Multi CAS
No
Molecular Formula
C14H9NO2
Molecular Weight
223.230000
Exact Mass
223.063329
InChI
InChI=1S/C14H9NO2/c16-14(17)11-6-3-5-10-8-9-4-1-2-7-12(9)15-13(10)11/h1-8H,(H,16,17)
InChIKey
NBIUCDPMOWCGIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.21
TPSA
50.19

LogP / Solubility

WLOGP
3.09
MLOGP
2.72
XLogP3
3.5
Consensus LogP
3.1
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.62
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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)
-1.89

Drug-likeness / Medicinal Chemistry

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

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