CAS RN: 92-62-6
Acridine-3,6-diamine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock3 grade groups
- Product code: ICTA3219
- Purity/Analytical Methods: >96.0%(T)(HPLC)
92-62-6 / acridine-3,6-diamine
Basic Information
CAS
92-62-6
Multi CAS
Yes
Molecular Formula
C13H11N3
Molecular Weight
209.250000
Exact Mass
209.095297
InChI
InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
InChIKey
WDVSHHCDHLJJJR-UHFFFAOYSA-N
Physical Properties
Melting Point
284-286 °C
285 °C
Physical Description
Yellow solid; [Merck Index]
Solid
Appearance
Yellow needles from alcohol. Solutions are brownish and when diluted are fluorescent.
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.07
TPSA
64.93
LogP / Solubility
WLOGP
2.55
MLOGP
2.25
XLogP3
1.8
Consensus LogP
2.2
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.18
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
Customers Also Viewed
-
-
9-Aminoacridine Hydrochloride Monohydrate
- CAS RN: 52417-22-8
- Product Code: ICTA0619
- Purity/Analytical method: >98.0%(T)
-
-
-
-
