CAS RN: 6402-23-9
Acrinol Monohydrate
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251112 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
- Product code: ICTA0136
- Purity/Analytical Methods: >98.0%(T)(HPLC)
6402-23-9 / 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid;hydrate
Basic Information
CAS
6402-23-9
Multi CAS
Yes
Molecular Formula
C18H23N3O5
Molecular Weight
361.400000
Exact Mass
361.163771
InChI
InChI=1S/C15H15N3O.C3H6O3.H2O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6;/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6);1H2
InChIKey
NYEPHMYJRNWPLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
14
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
102.17
TPSA
163.19
LogP / Solubility
WLOGP
1.58
MLOGP
1.41
XLogP3
1.58
Consensus LogP
1.52
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
