CAS RN: 109392-90-7
PHENYL ACRIDINE-9-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250301 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS109392-90-7
- Purity/Analytical Methods: >99.0%
109392-90-7 / phenyl acridine-9-carboxylate
Phenyl acridine-9-carboxylate | RefChem:861575 | 631-267-7
Basic Information
CAS
109392-90-7
Multi CAS
No
Molecular Formula
C20H13NO2
Molecular Weight
299.300000
Exact Mass
299.094629
SMILES
C1=CC=C(C=C1)OC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C20H13NO2/c22-20(23-14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H
InChIKey
QIYUZWMXMSNPRG-UHFFFAOYSA-N
Synonyms
Phenyl acridine-9-carboxylate
RefChem:861575
631-267-7
Phenyl 9-acridinecarboxylate
MFCD00075288
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
20
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
90.65
TPSA
39.19
LogP / Solubility
WLOGP
4.61
MLOGP
4.07
XLogP3
4.9
Consensus LogP
4.53
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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